UCSF

ZINC65164526

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 26 Yes

Popular Name: (3aR,4R)-N-(4-ethylphenyl)-4-(4-pyridyl)-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (3aR,4R)-N-(4-ethylphenyl)-4-(4-…

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) 3.00 9.09 -18.33 2 6 0 74 347.422 3 ↓
Mid Mid (pH 6-8) 3.00 9.55 -46.61 3 6 1 75 348.43 3 ↓
Lo Low (pH 4.5-6) 3.00 10.01 -96.11 4 6 2 76 349.438 3 ↓

Activity (Go SEA)

Rings

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

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