UCSF

ZINC20901165

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 26 Yes

Popular Name: 4-methyl-5-phenyl-3-[4-(2-pyridyl)piperazin-1-yl]isothiazole 4-methyl-5-phenyl-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) 2.58 6.52 -54.27 1 6 1 67 369.47 3 ↓
Mid Mid (pH 6-8) 2.58 6.24 -19.88 0 6 0 66 368.462 3 ↓

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

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