UCSF

ZINC49543382

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 27 Yes

Popular Name: (7S)-1-(3-methoxyphenyl)-5-oxo-7-(3-pyridyl)-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic (7S)-1-(3-methoxyphenyl)-5-oxo-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) 1.93 5.21 -74.03 1 7 -1 100 362.365 4 ↓
Ref Reference (pH 7) 1.75 7.87 -66.71 1 7 -1 96 362.365 4 ↓
Lo Low (pH 4.5-6) 1.93 5.71 -88.44 2 7 0 101 363.373 4 ↓
Lo Low (pH 4.5-6) 1.75 8.37 -80.85 2 7 0 98 363.373 4 ↓

Activity (Go SEA)

Rings

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

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