UCSF

ZINC69516496

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 24 Yes

Popular Name: 2-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]indolizine-1-carbonitrile 2-[(1-cyclopropyl-6,7-dihydro-4H…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.78 11.34 -36.89 1 5 1 51 318.404 3 ↓
Hi High (pH 8-9.5) 1.78 10.88 -14.92 0 5 0 49 317.396 3 ↓
Lo Low (pH 4.5-6) 1.78 13.56 -103.23 2 5 2 52 319.412 3 ↓

Activity (Go SEA)

Rings

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

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