UCSF

ZINC49409817

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 30 Yes

Popular Name: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-6-isopropyl-4H-isothiazolo[4,3-d]pyrimidine-5,7-dion 3-[4-(2,3-dimethylphenyl)piperaz…

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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) 4.13 6.51 -46.14 0 8 -1 94 426.522 3 ↓
Mid Mid (pH 6-8) 4.13 6.4 -67.1 1 8 0 96 427.53 3 ↓
Lo Low (pH 4.5-6) 3.67 8.07 -51.27 2 8 1 93 428.538 3 ↓

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

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