UCSF

ZINC03781393

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 19 Yes

Popular Name: 2-Amino-9-((1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl)-1H-purin-6(9H)-one 2-Amino-9-((1R,2R,3S)-2,3-bis(hy…

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CAS Numbers: 127759-89-1 , [127759-89-1]

Other Names:

(+)-Cyclobut G

(+)-Cyclobut G; (+-)Cyclobut-G; 6H-Purin-6-one, 2-amino-9-((1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl)-1,9-dihydro-; 6H-Purin-6-one, 2-amino-9-(2,3-bis(hydroxymethyl)cyclobutyl)-1,9-dihydro, (1R-(1alpha,2beta,3alpha)); 6H-Purin-6-one, 2-amino-9-(2,3-bis(

(+)Cyclobut-G

(+-)Cyclobut-G

(+/-)-9-[2,3-Bis(hydroxymethyl)-1-cyclobutyl]guanine

(+/-)-BHCG

(+/-)-Cyclobut-G

(+/-)-Lobucavir

(R)-9-[2,3-Bis(hydroxymethyl)-1-cyclobutyl]guanine

(R)-BHCG

vir

126062-18-8

126373-87-3

127759-89-1

127759-89-1; D04757; Lobucavir (USAN/INN)

2-Amino-9-(2,3-bis(hydroxymethyl)cyclobutyl)-1,9-dihydro-6H-purin-6-one

2-amino-9-[(1r,2r,3s)-2,3-bis(hydroxymethyl)cyclobutyl]-1,9-dihydro-6h-purin-6-one

2-amino-9-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-3H-purin-6-one

6H-Purin-6-one, 2-amino-9-((1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl)-1,9-dihydro-

6H-Purin-6-one, 2-amino-9-((1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl)-1,9-dihydro-, rel-

6H-Purin-6-one, 2-amino-9-(2,3-bis(hydroxymethyl)cyclobutyl)-1,9-dihydro, (1R-(1alpha,2beta,3alpha))

6H-Purin-6-one, 2-amino-9-(2,3-bis(hydroxymethyl)cyclobutyl)-1,9-dihydro-, (1alpha,2beta,3alpha)-(+-)-

6H-Purin-6-one, 2-amino-9-(2,3-bis(hydroxymethyl)cyclobutyl)-1,9-dihydro-, (1R-(1alpha,2beta,3alpha))-

9-((1R,2R,3S)-2,3-Bis(hydroxymethyl)cyclobutyl)guanine

9-(2,3-Bis-(hydroxymethyl)-1-cyclobutyl)guanine

9-[1.beta.-2.alpha.-3.beta.]-2,3-Bis(hydroxymethyl)-1-cyclobutyl]guanine

A-69992

AC1L1TX8

AC1Q6I9Z

BILS 179 BS

Bms 180194

BMS-180194

BMS-180194; SQ-34514

C-Oxetanocin-G

C-Oxt-G

C11H15N5O3

Carbocyclic oxetanocin G

CCRIS 9309

CID60786

Cyclobut-G

Cygalovir

D04757

DCL000308

DNC000320

DRG-0235

Lobucavir

Lobucavir (INN

Lobucavir (USAN/INN)

Lobucavir [USAN:INN]

LS-172690

MFCD00870586

SQ 33054

SQ 34,514

SQ-33,054

SQ-34514

UNII-8U5PYQ1R2E

USAN)

[1R-1.alpha.,2.beta.,3.alpha.]-2-Amino-9-[2,3-bis(hydroxymethyl)cyclobutyl]- 6H-purin-6-one

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.26 -8.47 -19.92 5 8 0 130 265.273 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50515-2-O Human Herpesvirus 2 (cluster #2 Of 2), Other Other 40 0.55 Functional ≤ 10μM
Z50527-3-O Human Herpesvirus 3 (cluster #3 Of 3), Other Other 20 0.57 Functional ≤ 10μM
Z50530-1-O Human Herpesvirus 5 (cluster #1 Of 5), Other Other 2000 0.42 Functional ≤ 10μM
Z50602-2-O Human Herpesvirus 1 (cluster #2 Of 5), Other Other 40 0.55 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50602 Z50602 Human Herpesvirus 1 40 0.55 Functional ≤ 10μM
Z50515 Z50515 Human Herpesvirus 2 40 0.55 Functional ≤ 10μM
Z50527 Z50527 Human Herpesvirus 3 20 0.57 Functional ≤ 10μM
Z50530 Z50530 Human Herpesvirus 5 2000 0.42 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )