UCSF

ZINC69896456

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 26 No

Popular Name: (2Z)-2-[[2-(benzofuro[3,2-d]pyrimidin-4-ylamino)ethylamino]-hydroxy-methylene]pyridin-3-one (2Z)-2-[[2-(benzofuro[3,2-d]pyri…

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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) 1.78 0.9 -13.82 3 8 0 117 349.35 5 ↓
Hi High (pH 8-9.5) 1.78 1.68 -48.76 2 8 -1 119 348.342 5 ↓
Mid Mid (pH 6-8) 1.78 2.05 -36.87 4 8 1 118 350.358 5 ↓

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

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