UCSF

ZINC13756109

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 31 Yes

Popular Name: (3R)-3-[4-[(2-ethyl-5,7-dimethyl-imidazo[5,4-b]pyridin-3-yl)methyl]phenyl]-3-(4-pyridyl)propanoic (3R)-3-[4-[(2-ethyl-5,7-dimethyl…

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) 3.46 12.97 -55.48 0 6 -1 84 413.501 7 ↓
Mid Mid (pH 6-8) 3.46 13.39 -65.12 1 6 0 85 414.509 7 ↓
Lo Low (pH 4.5-6) 3.46 13.22 -66.05 1 6 0 85 414.509 7 ↓
Lo Low (pH 4.5-6) 3.46 13.64 -114.99 2 6 1 86 415.517 7 ↓
Lo Low (pH 4.5-6) 3.46 13.24 -57.3 1 6 0 85 414.509 7 ↓
Lo Low (pH 4.5-6) 3.46 13.67 -76.09 2 6 1 86 415.517 7 ↓
Lo Low (pH 4.5-6) 3.46 13.49 -81.23 2 6 1 86 415.517 7 ↓
Lo Low (pH 4.5-6) 3.46 13.92 -139.33 3 6 2 87 416.525 7 ↓

Activity (Go SEA)

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