UCSF

ZINC28710667

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 24 No

Popular Name: (1S,4aR,5R,8aR)-1,4a-dimethyl-6-methylene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]decalin-1-carboxylic (1S,4aR,5R,8aR)-1,4a-dimethyl-6-…

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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) 2.75 10.32 -56.08 0 4 -1 66 331.432 4 ↓
Lo Low (pH 4.5-6) 2.75 9.2 -15.4 1 4 0 64 332.44 4 ↓

Activity (Go SEA)

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