UCSF

ZINC41606188

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 23 Yes

Popular Name: (2S)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-ethylphenyl)butanamide (2S)-2-[(3,5-dioxo-2H-1,2,4-tria…

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) 2.50 1.87 -42.73 2 7 -1 111 333.393 6 ↓
Mid Mid (pH 6-8) 2.05 3.51 -11.64 3 7 0 108 334.401 6 ↓

Activity (Go SEA)

Rings

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

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