UCSF

ZINC13545692

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 20 No

Popular Name: 4-ethyl-3-[4-(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)butyl]-1H-1,2,4-triazole-5-thione 4-ethyl-3-[4-(4-ethyl-5-thioxo-1…

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) 0.44 10.73 -24.66 2 6 0 67 312.468 7 ↓
Hi High (pH 8-9.5) 1.90 10.41 -95.44 0 6 -2 61 310.452 7 ↓
Mid Mid (pH 6-8) 1.17 10.5 -54.36 1 6 -1 64 311.46 7 ↓

Activity (Go SEA)

Rings

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