UCSF

ZINC38740809

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 28 Yes

Popular Name: 4-[(1R,9aS)-1-(6-chloro-1,3-benzodioxol-4-yl)-1,3,4,9a-tetrahydropyrido[3,4-b]indol-2-yl]butanenitri 4-[(1R,9aS)-1-(6-chloro-1,3-benz…

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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) 4.17 9.92 -12.13 1 5 0 61 393.874 4 ↓
Mid Mid (pH 6-8) 4.17 11.54 -53.9 2 5 1 62 394.882 4 ↓

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

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