UCSF

ZINC67754378

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 27 Yes

Popular Name: N-[[2-(4-acetylpiperazin-1-yl)-3-pyridyl]methyl]-3-hydroxy-2-methyl-benzamide N-[[2-(4-acetylpiperazin-1-yl)-3…

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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) 1.28 5.64 -53.29 3 7 1 87 369.445 4 ↓
Mid Mid (pH 6-8) 1.28 5.16 -17.22 2 7 0 86 368.437 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.