UCSF

ZINC28646954

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 31 Yes

Popular Name: 1255-12-5; 3H,19H-cyclopropa[9,10]cyclopenta[a]phenanthrene; 4alpha,14alpha-dimethyl-9beta,19-cyclo-ergost-24(241)-en-3-one; 9,19-cyclo-5alpha,9beta-ergost-24(28)-en-3-one; CPD-12868; cycloeucalenone 1255-12-5; 3H,19H-cyclopropa[9,1…

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CAS Number: 1255-12-5

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) 7.43 16.3 -3.55 0 1 0 17 424.713 5 ↓

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 10 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50518 Z50518 Human Herpesvirus 4 10.3 0.36 Functional ≤ 10μM

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