UCSF

ZINC49409784

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 27 Yes

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

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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) 3.22 3.94 -45.98 0 8 -1 94 404.859 2 ↓
Lo Low (pH 4.5-6) 2.77 5.83 -10.18 1 8 0 91 405.867 2 ↓

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

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