UCSF

ZINC20900842

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 30 Yes

Popular Name: 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[4-(4-pyridylmethyl)phenyl]isothiazol-3-amine 5-(3,4-dimethylphenyl)-4-methyl-…

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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) 4.84 10.04 -45.8 0 5 -1 73 416.526 5 ↓
Mid Mid (pH 6-8) 4.84 10.46 -24.38 1 5 0 71 417.534 5 ↓
Lo Low (pH 4.5-6) 4.84 10.9 -55.17 2 5 1 73 418.542 5 ↓

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

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