UCSF

ZINC20901086

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 33 Yes

Popular Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-(4-isopropylphenyl)-4-methyl-1,1-dioxo-isothiazol-3-am 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) 4.93 9.92 -55.26 1 6 0 68 466.651 7 ↓
Hi High (pH 8-9.5) 4.93 7.6 -42.44 0 6 -1 67 465.643 7 ↓
Mid Mid (pH 6-8) 4.93 9.91 -59.59 1 6 0 68 466.651 7 ↓
Mid Mid (pH 6-8) 4.93 10.39 -51.74 2 6 1 66 467.659 7 ↓
Lo Low (pH 4.5-6) 4.93 10.39 -56.03 2 6 1 66 467.659 7 ↓

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

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