UCSF

ZINC71552032

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 26 Yes

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

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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) 1.01 7.26 -48.69 2 7 1 79 353.45 3 ↓
Hi High (pH 8-9.5) 1.01 5.91 -9.85 1 7 0 74 352.442 3 ↓
Lo Low (pH 4.5-6) 1.01 7.58 -87.64 3 7 2 80 354.458 3 ↓

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

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