UCSF

ZINC19484114

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 20 Yes

Popular Name: (2S,3aS,7aS)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxa (2S,3aS,7aS)-N-[[(2R)-1-ethylpyr…

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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) 2.79 6.44 -97.51 4 4 2 50 281.444 4 ↓
Hi High (pH 8-9.5) 2.79 4.21 -38.58 3 4 1 49 280.436 4 ↓

Activity (Go SEA)

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