UCSF

ZINC04654608

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2005 31 Yes

Popular Name: CYCLOARTENOL CYCLOARTENOL

Find On: PubMed — Wikipedia — Google

CAS Number: 469-38-5

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) 8.24 2.21 -1.47 1 1 0 20 426.729 4 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links CAS1_ARATH; CAS1_BETPL; CAS1_CUCPE; CAS1_DICDI; CAS1_GLYGL; CAS1_LUFAE; CAS1_PANGI; CAS1_RICCO; CAS2_BETPL; CASS_KALDA; CAS_ORYSJ; SMT1_ARATH; SMT1_DICDI; SMT1_ORYSJ; SMTL1_BOTBR; SMTL2_BOTBR; SMTL3_BOTBR; SQMT1_BOTBR; SQMT2_BOTBR ChEBI
PUBCHEM_PATENT_ID EP0007474A1; EP0145607A2; EP0162330A1; EP0162330B1; EP0166542A2; EP0195311A2; EP0195311B2; EP0216927A1; EP0287000A1; EP0345039A2; EP0421504A2; EP0421504B1; EP0449557B1; EP0480730A2; EP0480730A3; EP0600915A1; EP0600915B1; EP0619952A1; EP0912665A1; EP091432 IBM Patent Data
Patent Database Links US2003120095; US2003195367; US2005033027; WO2007112536 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50518-4-O Human Herpesvirus 4 (cluster #4 Of 5), Other Other 9 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50518 Z50518 Human Herpesvirus 4 8.8 0.36 Functional ≤ 10μM

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