UCSF

ZINC71524457

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 27 Yes

Popular Name: 1-[4-(dimethylamino)-2-(4-pyridyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-pyrrolidin-1-yl-eth 1-[4-(dimethylamino)-2-(4-pyridy…

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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) 1.05 9.7 -43.93 1 7 1 67 367.477 4 ↓
Hi High (pH 8-9.5) 1.05 7.33 -11.56 0 7 0 65 366.469 4 ↓
Lo Low (pH 4.5-6) 1.05 10.04 -102.65 2 7 2 68 368.485 4 ↓

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

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