UCSF

ZINC39500372

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 31 Yes

Popular Name: 2-[(2R)-1-[(E)-cinnamyl]-3-oxo-piperazin-2-yl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide 2-[(2R)-1-[(E)-cinnamyl]-3-oxo-p…

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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) 3.65 8.85 -37.36 3 7 1 80 418.521 8 ↓
Mid Mid (pH 6-8) 3.65 8.42 -22.16 2 7 0 79 417.513 8 ↓
Mid Mid (pH 6-8) 3.84 7.63 -69.55 3 7 1 88 418.521 8 ↓
Mid Mid (pH 6-8) 3.84 7.2 -55.77 2 7 0 86 417.513 8 ↓

Activity (Go SEA)

Rings

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