UCSF

ZINC20900814

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 31 Yes

Popular Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-methyl-1,1-dioxo-5-(p-tolyl)isothiazol-3-amine N-[4-[(4-ethylpiperazin-1-yl)met…

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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) 3.87 8.2 -57.31 1 6 0 68 438.597 6 ↓
Hi High (pH 8-9.5) 3.87 5.81 -44.86 0 6 -1 67 437.589 6 ↓
Mid Mid (pH 6-8) 3.87 8.18 -64.39 1 6 0 68 438.597 6 ↓
Mid Mid (pH 6-8) 3.87 8.66 -58.28 2 6 1 66 439.605 6 ↓
Lo Low (pH 4.5-6) 3.87 8.68 -57.9 2 6 1 66 439.605 6 ↓

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