UCSF

ZINC95933349

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2014 27 Yes

Popular Name: 5-Hydroxy-1-(4-hydroxy-3-methoxycyclohexyl)-7-(4-hydroxy-3-methoxyphenyl)heptan-3-one 5-Hydroxy-1-(4-hydroxy-3-methoxy…

Find On: PubMed — Wikipedia — Google

CAS Number: 36062-05-2

Other Names:

N/A

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) 1.86 4.07 -14.37 3 6 0 96 380.481 10 ↓

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.