UCSF

ZINC00949755

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 35 Yes

Popular Name: (7R)-7-(4-benzoxy-3-methoxy-phenyl)-5-methyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimid (7R)-7-(4-benzoxy-3-methoxy-phen…

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) 3.00 12.88 -14.29 2 9 0 103 468.517 7 ↓
Lo Low (pH 4.5-6) 3.17 13.47 -64.94 3 9 1 108 469.525 7 ↓
Lo Low (pH 4.5-6) 3.00 12.93 -47.18 3 9 1 104 469.525 7 ↓

Activity (Go SEA)

Rings

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

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