UCSF

ZINC38570540

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 35 No

Popular Name: (9aR)-1-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dichlorophenyl)ethyl]-9aH-pyrido[3,4-b]indole-3-carboxamide (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) 5.95 10.7 -36.79 2 6 1 74 505.381 5 ↓
Lo Low (pH 4.5-6) 5.95 11.07 -106.53 3 6 2 76 506.389 5 ↓

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

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