UCSF

ZINC69487075

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 26 Yes

Popular Name: 1-ethyl-N-[2-(2-quinolyl)ethyl]benzotriazole-5-carboxamide 1-ethyl-N-[2-(2-quinolyl)ethyl]b…

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) 2.78 7.1 -22.94 1 6 0 73 345.406 5 ↓
Lo Low (pH 4.5-6) 2.78 7.42 -47.3 2 6 1 74 346.414 5 ↓

Activity (Go SEA)

Rings

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

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