UCSF

ZINC37822400

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Popular Name: [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-thienyl)methanone [4-(1-aminocyclopentanecarbonyl)…

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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) 0.59 3.92 -59.8 3 5 1 68 308.427 2 ↓
Mid Mid (pH 6-8) 0.59 3.72 -13.89 2 5 0 67 307.419 2 ↓

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Rings

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