UCSF

ZINC09422419

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 16 Yes

Popular Name: 5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide 5-oxo-1-(pyridin-3-ylmethyl)pyrr…

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CAS Number: 910443-34-4

Download: MOL2 SDF SMILES Flexibase

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) -0.94 1.07 -14.04 2 5 0 76 219.244 3 ↓
Lo Low (pH 4.5-6) -0.94 1.35 -39.3 3 5 1 78 220.252 3 ↓

Activity (Go SEA)

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