UCSF

ZINC61418595

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 18 Yes

Popular Name: (S)-(1-methylimidazol-2-yl)-(5-quinolyl)methanamine (S)-(1-methylimidazol-2-yl)-(5-q…

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) 1.32 4.54 -36.36 3 4 1 58 239.302 2 ↓
Mid Mid (pH 6-8) 1.32 4.08 -11.93 2 4 0 57 238.294 2 ↓
Lo Low (pH 4.5-6) 1.32 4.9 -122.68 4 4 2 60 240.31 2 ↓
Lo Low (pH 4.5-6) 1.32 4.39 -51.13 3 4 1 58 239.302 2 ↓

Activity (Go SEA)

Rings

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

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