UCSF

ZINC63743215

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 25 No

Popular Name: (3aR)-N-(3-fluorophenyl)-7-methyl-4-oxo-3a,5-dihydro-1H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxam (3aR)-N-(3-fluorophenyl)-7-methy…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.92 4.59 -38.84 4 7 1 87 340.338 2 ↓
Hi High (pH 8-9.5) 1.92 4.23 -11.63 3 7 0 86 339.33 2 ↓
Hi High (pH 8-9.5) 2.10 2.58 -20.08 3 7 0 94 339.33 2 ↓
Hi High (pH 8-9.5) 2.10 2.33 -44.1 2 7 -1 92 338.322 2 ↓

Activity (Go SEA)

Rings

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

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