UCSF

ZINC49409801

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 29 Yes

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

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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) 4.02 5.62 -47.85 0 8 -1 94 432.913 3 ↓
Lo Low (pH 4.5-6) 4.02 5.77 -67.61 1 8 0 96 433.921 3 ↓
Lo Low (pH 4.5-6) 3.56 7.51 -11.9 1 8 0 91 433.921 3 ↓

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Rings

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

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