UCSF

ZINC13681690

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 27 No

Popular Name: (8R,9S,13S,14S,16E)-3-hydroxy-13-methyl-16-(3-pyridylmethylene)-6,7,8,9,11,12,14,15-octahydrocyclope (8R,9S,13S,14S,16E)-3-hydroxy-13…

Find On: PubMed — Wikipedia — Google

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) 3.85 9.38 -11.32 1 3 0 50 359.469 1 ↓
Lo Low (pH 4.5-6) 3.85 9.66 -46.84 2 3 1 51 360.477 1 ↓

Activity (Go SEA)

Rings

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

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