UCSF

ZINC38570014

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 34 No

Popular Name: (9aR)-1-(1,3-benzodioxol-5-yl)-N-[(2-chloro-6-fluoro-phenyl)methyl]-9aH-pyrido[3,4-b]indole-3-carbox (9aR)-1-(1,3-benzodioxol-5-yl)-N…

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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) 5.01 9.39 -32.89 2 6 1 74 474.899 4 ↓
Lo Low (pH 4.5-6) 5.01 9.76 -94.4 3 6 2 76 475.907 4 ↓

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

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