UCSF

ZINC53491401

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 21 Yes

Popular Name: N-methyl-4-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxamide N-methyl-4-[(5-oxothiazolo[3,2-a…

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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) 0.92 3.27 -44.09 2 7 1 71 308.387 2 ↓
Hi High (pH 8-9.5) 0.92 3.46 -16.95 1 7 0 70 307.379 2 ↓
Mid Mid (pH 6-8) 0.92 5.56 -123.18 3 7 2 72 309.395 2 ↓
Lo Low (pH 4.5-6) 0.92 5.71 -54.75 2 7 1 71 308.387 2 ↓

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