UCSF

ZINC00148722

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: methyl 4-methyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl sulfide methyl 4-methyl-5-(2-thienyl)-4H…

Find On: PubMed — Wikipedia — Google

CAS Number: 116850-51-2

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) 2.28 6.43 -9.98 0 3 0 31 211.315 2 ↓

Activity (Go SEA)

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