UCSF

ZINC60020386

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 30 Yes

Popular Name: (6aR,10aS)-2-hydroxy-5,6,6-trimethyl-3-[(1R)-1-methyl-4-phenyl-butyl]-7,8,9,10a-tetrahydro-6aH-phena (6aR,10aS)-2-hydroxy-5,6,6-trime…

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) 6.07 12.78 -9.46 1 3 0 41 405.582 5 ↓
Lo Low (pH 4.5-6) 6.07 12.93 -44.18 2 3 1 42 406.59 5 ↓

Activity (Go SEA)

Rings

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

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