UCSF

ZINC66136640

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 34 No

Popular Name: (4bR,9S,9aR)-N-(1-benzyl-4-piperidyl)-7-methoxy-9a-methyl-6-oxo-4b,5,9,10-tetrahydrobenzo[a]azulene- (4bR,9S,9aR)-N-(1-benzyl-4-piper…

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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) 2.63 13.36 -48.48 2 5 1 60 459.61 5 ↓
Hi High (pH 8-9.5) 2.63 11.12 -12.57 1 5 0 59 458.602 5 ↓

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

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