UCSF

ZINC69511431

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 23 Yes

Popular Name: 2-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]quinazolin-4-amine 2-[(2-methyl-6,8-dihydro-5H-pyri…

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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) 0.87 4.46 -13.98 2 6 0 81 306.373 2 ↓
Mid Mid (pH 6-8) 0.87 4.95 -32.61 3 6 1 82 307.381 2 ↓
Mid Mid (pH 6-8) 0.87 6.71 -41.82 3 6 1 82 307.381 2 ↓
Lo Low (pH 4.5-6) 0.87 7.21 -108.07 4 6 2 83 308.389 2 ↓

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

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