UCSF

ZINC36190003

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 Yes

Popular Name: [(2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-(4-isopropylpiperazin-1-yl)methanone [(2S,3aR,7aS)-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) 2.80 4.89 -36.95 2 4 1 40 280.436 2 ↓
Mid Mid (pH 6-8) 2.80 7.05 -93.1 3 4 2 41 281.444 2 ↓

Activity (Go SEA)

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