UCSF

ZINC49543280

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 33 Yes

Popular Name: (7R)-1-(2,5-dimethoxyphenyl)-7-(4-methoxycarbonylphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine (7R)-1-(2,5-dimethoxyphenyl)-7-(…

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) 3.56 7.24 -75.45 1 9 -1 122 449.439 7 ↓
Ref Reference (pH 7) 3.37 9.88 -67.83 1 9 -1 119 449.439 7 ↓
Lo Low (pH 4.5-6) 3.56 8.32 -56.04 2 9 0 124 450.447 7 ↓

Activity (Go SEA)

Rings

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

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