UCSF

ZINC71551768

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 28 Yes

Popular Name: [4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-hydroxy-2-pyridyl)methano [4-(dimethylamino)-2-phenyl-6,8-…

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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) 2.56 10.28 -53.96 0 7 -1 85 374.424 3 ↓
Mid Mid (pH 6-8) 2.56 9.28 -13.82 1 7 0 82 375.432 3 ↓
Mid Mid (pH 6-8) 2.56 8.15 -30.39 1 7 0 87 375.432 3 ↓
Lo Low (pH 4.5-6) 2.56 9.58 -33.08 2 7 1 84 376.44 3 ↓
Lo Low (pH 4.5-6) 2.56 8.45 -47.92 2 7 1 88 376.44 3 ↓

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

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