UCSF

ZINC66941786

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2011 25 Yes

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

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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) 1.96 6.01 -42.19 3 6 1 70 361.853 4 ↓
Hi High (pH 8-9.5) 1.96 3.66 -11.6 2 6 0 69 360.845 4 ↓
Hi High (pH 8-9.5) 1.96 4.44 -42.5 1 6 -1 72 359.837 4 ↓
Mid Mid (pH 6-8) 1.96 4.14 -44.19 3 6 1 70 361.853 4 ↓
Mid Mid (pH 6-8) 1.96 6.48 -104.45 4 6 2 71 362.861 4 ↓

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Rings

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

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