UCSF

ZINC09304174

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 29 No

Popular Name: 2-bromo-N-[1-[5-(4,5-dihydrothiazol-2-ylcarbamoylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]ethyl]be 2-bromo-N-[1-[5-(4,5-dihydrothia…

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) 2.17 7.11 -17.83 2 8 0 101 497.444 7 ↓
Mid Mid (pH 6-8) 2.17 8.24 -40.82 3 8 1 103 498.452 7 ↓
Mid Mid (pH 6-8) 2.24 5.58 -23.1 2 8 0 105 497.444 7 ↓
Mid Mid (pH 6-8) 2.17 7.42 -17.32 2 8 0 101 497.444 7 ↓

Activity (Go SEA)

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