UCSF

ZINC62802675

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 17 Yes

Popular Name: [5-(6-quinolyl)-4H-1,2,4-triazol-3-yl]methanamine [5-(6-quinolyl)-4H-1,2,4-triazol…

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) 0.78 2.83 -47.39 4 5 1 82 226.263 2 ↓
Hi High (pH 8-9.5) 0.78 2.46 -11.26 3 5 0 80 225.255 2 ↓
Mid Mid (pH 6-8) 0.78 2.69 -42.94 3 5 0 80 225.255 2 ↓

Activity (Go SEA)

Rings

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

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