UCSF

ZINC69482193

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 18 Yes

Popular Name: 2-[(1S,4aS,8aR)-2-(hydroxymethyl)-5,5-dimethyl-4,4a,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]acetic 2-[(1S,4aS,8aR)-2-(hydroxymethyl…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.96 6 -46.93 1 3 -1 60 251.346 3 ↓
Lo Low (pH 4.5-6) 2.96 3.99 -7.63 2 3 0 58 252.354 3 ↓

Activity (Go SEA)

Rings

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

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