UCSF

ZINC17991156

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 25 No

Popular Name: 3-[(E)-benzyliminomethyl]-2-(2-hydroxyethylamino)-9-methyl-pyrido[2,1-b]pyrimidin-4-one 3-[(E)-benzyliminomethyl]-2-(2-h…

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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) 1.96 6.97 -30.54 3 6 1 81 337.403 6 ↓
Hi High (pH 8-9.5) 1.96 5.39 -15.94 2 6 0 79 336.395 6 ↓
Hi High (pH 8-9.5) 1.96 6.24 -19.35 2 6 0 79 336.395 6 ↓

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

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