UCSF

ZINC53313792

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 36 No

Popular Name: (1R,3aR,5S,5aS,8aS,9S,9aR)-9-hydroxy-5,8a-trimethyl-methylene-spiro[3a,4,5,5a,9,9a-hexahydroazuleno[ (1R,3aR,5S,5aS,8aS,9S,9aR)-9-hyd…

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) 0.49 9.64 -15.79 1 7 0 107 494.584 0 ↓

Activity (Go SEA)

Rings

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

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