UCSF

ZINC37230306

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 27 Yes

Popular Name: (3S,3aR,8aS,9aR)-5,8a-dimethyl-3-[[methyl-[2-(2-pyridyl)ethyl]amino]methyl]-3,3a,4,6,7,8,9,9a-octahy (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) 2.96 12.43 -48.33 1 4 1 44 369.529 5 ↓
Hi High (pH 8-9.5) 2.96 10.88 -8.46 0 4 0 42 368.521 5 ↓

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

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