UCSF

ZINC37826985

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 Yes

Popular Name: [(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-(4-cyclopropylpiperazin-1-yl)methanone [(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-…

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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) 2.49 5.39 -38.47 2 4 1 40 278.42 2 ↓
Mid Mid (pH 6-8) 2.49 7.57 -95.18 3 4 2 41 279.428 2 ↓

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Rings

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