UCSF

ZINC20901080

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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) 4.23 8.25 -55.6 2 6 1 66 433.642 9 ↓
Hi High (pH 8-9.5) 4.23 5.94 -20.35 1 6 0 65 432.634 9 ↓
Mid Mid (pH 6-8) 4.23 8.25 -63.2 2 6 1 66 433.642 9 ↓

Activity (Go SEA)

Rings

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

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