UCSF

ZINC54771883

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 29 Yes

Popular Name: (2R)-1-[[(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methoxy]-3-[4-(4-methoxyphenyl)piperazin-1 (2R)-1-[[(1S,5R)-7,7-dimethyl-4-…

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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) 3.95 7.02 -7.45 1 5 0 45 400.563 8 ↓
Mid Mid (pH 6-8) 3.95 9.25 -43.65 2 5 1 46 401.571 8 ↓

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Rings

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

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