UCSF

ZINC69709515

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 Yes

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

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) 1.28 5.73 -13.73 1 6 0 75 327.775 2 ↓
Lo Low (pH 4.5-6) 1.28 7.96 -60.66 2 6 1 76 328.783 2 ↓

Activity (Go SEA)

Rings

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

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