UCSF

ZINC37230282

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 25 Yes

Popular Name: (3S,3aR,8aS,9aR)-5,8a-dimethyl-3-[(3-pyridylmethylamino)methyl]-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]b (3S,3aR,8aS,9aR)-5,8a-dimethyl-3…

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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) 2.24 10.08 -50.87 2 4 1 56 341.475 4 ↓
Hi High (pH 8-9.5) 2.24 8.72 -9.34 1 4 0 51 340.467 4 ↓

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

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