UCSF

ZINC69493355

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 20 Yes

Popular Name: 2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-1,3-benzoxazole 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) 1.50 3.2 -12.89 0 5 0 55 266.304 2 ↓
Lo Low (pH 4.5-6) 1.50 5.47 -47.82 1 5 1 56 267.312 2 ↓

Activity (Go SEA)

Rings

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

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