UCSF

ZINC69871361

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 20 Yes

Popular Name: 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-4-fluoro-benzonitrile 3-(6,8-dihydro-5H-pyrido[3,4-d]p…

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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) 1.32 6.33 -9.85 0 4 0 53 268.295 2 ↓
Lo Low (pH 4.5-6) 1.32 8.61 -51.14 1 4 1 54 269.303 2 ↓

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

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