UCSF

ZINC64972654

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 35 Yes

Popular Name: N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide N-[5-[4-(2,3-dimethylphenyl)pipe…

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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) 5.23 13.33 -15.91 1 6 0 66 484.625 4 ↓
Mid Mid (pH 6-8) 5.23 13.15 -46.39 2 6 1 67 485.633 4 ↓

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

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