UCSF

ZINC41590637

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 26 Yes

Popular Name: 4-chloro-N-methyl-3-[4-(2-pyridyl)piperazine-1-carbonyl]benzenesulfonamide 4-chloro-N-methyl-3-[4-(2-pyridy…

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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) 1.27 5.03 -40.09 2 7 1 84 395.892 4 ↓
Mid Mid (pH 6-8) 1.27 4.7 -14.6 1 7 0 83 394.884 4 ↓

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

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