UCSF

ZINC55565718

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 24 Yes

Popular Name: 3-(4-ethylpiperazine-1-carbonyl)-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-4-one 3-(4-ethylpiperazine-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) 1.02 6.34 -17.32 0 6 0 58 346.456 2 ↓
Lo Low (pH 4.5-6) 1.02 9.05 -95.47 2 6 2 60 348.472 2 ↓

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Rings

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