UCSF

ZINC20901155

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Substance Information

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

Popular Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-methyl-1,1-dioxo-5-phenyl-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) 3.42 7.99 -55.86 1 6 0 68 424.57 6 ↓
Hi High (pH 8-9.5) 3.42 5.67 -43.03 0 6 -1 67 423.562 6 ↓
Mid Mid (pH 6-8) 3.42 7.98 -60.19 1 6 0 68 424.57 6 ↓
Mid Mid (pH 6-8) 3.42 8.46 -52.13 2 6 1 66 425.578 6 ↓
Lo Low (pH 4.5-6) 3.42 8.47 -56.39 2 6 1 66 425.578 6 ↓

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