UCSF

ZINC49543194

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 31 Yes

Popular Name: (7S)-1-(2,4-dimethoxyphenyl)-7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carbo (7S)-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) 3.18 6.02 -68.61 1 8 -1 105 421.429 6 ↓
Ref Reference (pH 7) 3.00 8.65 -60.75 1 8 -1 102 421.429 6 ↓
Lo Low (pH 4.5-6) 3.18 7.08 -45.5 2 8 0 107 422.437 6 ↓

Activity (Go SEA)

Rings

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

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