UCSF

ZINC66136294

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 28 No

Popular Name: (4bR,9S,9aR)-7-methoxy-9a-methyl-6-oxo-N-(2-pyridylmethyl)-4b,5,9,10-tetrahydrobenzo[a]azulene-9-car (4bR,9S,9aR)-7-methoxy-9a-methyl…

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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) 1.04 8.43 -14.02 1 5 0 68 376.456 4 ↓
Lo Low (pH 4.5-6) 1.04 8.84 -46.85 2 5 1 70 377.464 4 ↓

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

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