UCSF

ZINC17123740

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 24 No

Popular Name: 2-(allylamino)-9-methyl-3-[(Z)-(4-oxo-2-sulfanyl-thiazol-5-ylidene)methyl]pyrido[2,1-b]pyrimidin-4-o 2-(allylamino)-9-methyl-3-[(Z)-(…

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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) 2.35 5.81 -53.83 1 6 -1 82 357.44 4 ↓
Lo Low (pH 4.5-6) 1.89 7.85 -13.65 2 6 0 79 358.448 4 ↓
Lo Low (pH 4.5-6) 1.89 7.62 -16.75 2 6 0 79 358.448 4 ↓

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