UCSF

ZINC71498587

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 26 Yes

Popular Name: 1-[2-(dimethylamino)-4-[methyl-[(3-methyl-4-pyridyl)methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimi 1-[2-(dimethylamino)-4-[methyl-[…

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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) 1.33 10.65 -40.07 1 7 1 67 355.466 4 ↓
Hi High (pH 8-9.5) 1.33 11.34 -12.51 0 7 0 65 354.458 4 ↓
Lo Low (pH 4.5-6) 1.33 12.05 -84.55 2 7 2 68 356.474 4 ↓

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

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