UCSF

ZINC71589764

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 27 Yes

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

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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) 2.08 8.74 -37.64 2 8 1 83 372.449 4 ↓
Hi High (pH 8-9.5) 2.08 8.37 -15.21 1 8 0 82 371.441 4 ↓
Hi High (pH 8-9.5) 2.08 9.45 -61.26 0 8 -1 85 370.433 4 ↓

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Rings

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

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