UCSF

ZINC49409858

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 26 Yes

Popular Name: 3-(4-allylpiperazine-1-carbonyl)-6-butyl-4H-isothiazolo[4,3-d]pyrimidine-5,7-dione 3-(4-allylpiperazine-1-carbonyl)…

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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) 2.98 2.08 -47.62 0 8 -1 94 376.462 6 ↓
Lo Low (pH 4.5-6) 2.98 4.34 -68.81 1 8 0 96 377.47 6 ↓
Lo Low (pH 4.5-6) 2.52 6.21 -53.08 2 8 1 93 378.478 6 ↓

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

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