UCSF

ZINC61418598

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 19 Yes

Popular Name: (R)-(1-ethylimidazol-2-yl)-(8-quinolyl)methanamine (R)-(1-ethylimidazol-2-yl)-(8-qu…

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) 1.40 6.73 -27.34 3 4 1 58 253.329 3 ↓
Mid Mid (pH 6-8) 1.40 6.06 -9.96 2 4 0 57 252.321 3 ↓
Lo Low (pH 4.5-6) 1.40 7.04 -107.16 4 4 2 60 254.337 3 ↓
Lo Low (pH 4.5-6) 1.40 6.38 -40.84 3 4 1 58 253.329 3 ↓

Activity (Go SEA)

Rings

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

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