UCSF

ZINC15015270

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 12 Yes

Popular Name: Pyrrolidine, 1-(2-cyano-2-methyl-1-oxopropyl)- (9CI) Pyrrolidine, 1-(2-cyano-2-methyl…

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CAS Number: 681247-26-7

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) 1.01 3.92 -7.72 0 3 0 44 166.224 1 ↓

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