UCSF

ZINC49409780

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 28 Yes

Popular Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-6-methyl-4H-isothiazolo[4,3-d]pyrimidine-5,7-d 3-[4-(5-chloro-2-methyl-phenyl)p…

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) 3.65 4.82 -45.99 0 8 -1 94 418.886 2 ↓
Lo Low (pH 4.5-6) 3.65 4.66 -73.09 1 8 0 96 419.894 2 ↓
Lo Low (pH 4.5-6) 3.19 6.68 -10.92 1 8 0 91 419.894 2 ↓

Activity (Go SEA)

Rings

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

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