UCSF

ZINC58343474

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 23 Yes

Popular Name: N-[[2-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]benzamide N-[[2-(4-methylpiperazin-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) 1.58 8.3 -39.01 2 5 1 50 311.409 4 ↓
Hi High (pH 8-9.5) 1.58 5.95 -9.86 1 5 0 48 310.401 4 ↓
Mid Mid (pH 6-8) 1.58 6.43 -39.99 2 5 1 50 311.409 4 ↓
Mid Mid (pH 6-8) 1.58 8.77 -98.91 3 5 2 51 312.417 4 ↓

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Rings

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

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