UCSF

ZINC12031606

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 33 Yes

Popular Name: (3R)-6-methoxy-3-[2-oxo-2-[4-(2-propylimidazo[5,4-b]pyridin-3-yl)-1-piperidyl]ethyl]indolin-2-one (3R)-6-methoxy-3-[2-oxo-2-[4-(2-…

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) 2.39 11.16 -24.35 1 8 0 89 447.539 6 ↓
Mid Mid (pH 6-8) 2.39 -1.27 -46.68 2 8 1 91 448.547 6 ↓
Lo Low (pH 4.5-6) 2.39 -1.18 -43.33 2 8 1 91 448.547 6 ↓
Lo Low (pH 4.5-6) 2.39 -1.01 -106.1 3 8 2 92 449.555 6 ↓
Lo Low (pH 4.5-6) 2.39 11.55 -47.41 2 8 1 91 448.547 6 ↓

Activity (Go SEA)

Rings

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