UCSF

ZINC20901020

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-isothiazol-3-amin 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) 3.47 6.86 -57.31 1 7 0 78 454.596 7 ↓
Hi High (pH 8-9.5) 3.47 4.47 -44.51 0 7 -1 76 453.588 7 ↓
Mid Mid (pH 6-8) 3.47 6.84 -64.36 1 7 0 78 454.596 7 ↓
Mid Mid (pH 6-8) 3.47 7.32 -59.6 2 7 1 75 455.604 7 ↓
Lo Low (pH 4.5-6) 3.47 7.34 -59.18 2 7 1 75 455.604 7 ↓

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

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