UCSF

ZINC49543232

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 32 Yes

Popular Name: (7R)-1-(2,4-dimethoxyphenyl)-7-(4-hydroxy-3-methoxy-phenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyrid (7R)-1-(2,4-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) 2.51 3.75 -69.54 2 9 -1 126 437.428 6 ↓
Ref Reference (pH 7) 2.33 6.39 -61.85 2 9 -1 122 437.428 6 ↓

Activity (Go SEA)

Rings

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

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