UCSF

ZINC69571111

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 22 Yes

Popular Name: 2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-3H-quinazolin-4-one 2-(6,8-dihydro-5H-pyrido[3,4-d]p…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 0.63 5.22 -14.57 1 6 0 75 293.33 2 ↓
Lo Low (pH 4.5-6) 0.63 7.45 -57.88 2 6 1 76 294.338 2 ↓

Activity (Go SEA)

Rings

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

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