UCSF

ZINC22936253

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 26 Yes

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

Find On: PubMed — Wikipedia — Google

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) 2.52 5.25 -54.46 2 6 1 66 397.952 6 ↓
Hi High (pH 8-9.5) 2.52 2.88 -19.34 1 6 0 65 396.944 6 ↓
Mid Mid (pH 6-8) 2.52 5.14 -60.66 2 6 1 66 397.952 6 ↓

Activity (Go SEA)

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