UCSF

ZINC08739853

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 32 No

Popular Name: 5-(3,4-dichlorophenyl)-4-[(4-ethoxyphenyl)-hydroxy-methylene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-pyr 5-(3,4-dichlorophenyl)-4-[(4-eth…

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) 4.22 10.25 -52.28 0 7 -1 95 489.36 6 ↓
Mid Mid (pH 6-8) 3.64 -0.12 -12.72 0 7 0 89 490.368 6 ↓
Lo Low (pH 4.5-6) 4.22 9.43 -16.57 1 7 0 93 490.368 6 ↓

Activity (Go SEA)

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