UCSF

ZINC20900916

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 32 Yes

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

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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) 4.24 8.8 -58.23 1 6 0 68 452.624 6 ↓
Hi High (pH 8-9.5) 4.24 6.41 -45.87 0 6 -1 67 451.616 6 ↓
Mid Mid (pH 6-8) 4.24 8.77 -65.39 1 6 0 68 452.624 6 ↓
Mid Mid (pH 6-8) 4.24 9.25 -58.67 2 6 1 66 453.632 6 ↓
Lo Low (pH 4.5-6) 4.24 9.27 -58.18 2 6 1 66 453.632 6 ↓

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

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