UCSF

ZINC20901011

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 28 Yes

Popular Name: N-[3-(4-ethylpiperazin-1-yl)propyl]-5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-isothiazol-3-amine N-[3-(4-ethylpiperazin-1-yl)prop…

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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) 2.27 4.91 -55.47 2 7 1 75 407.56 8 ↓
Hi High (pH 8-9.5) 2.27 2.6 -21.11 1 7 0 74 406.552 8 ↓
Mid Mid (pH 6-8) 2.27 4.91 -63.7 2 7 1 75 407.56 8 ↓

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

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