UCSF

ZINC06444652

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 33 No

Popular Name: 4-[hydroxy-(4-methoxyphenyl)-methylene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-tert-butylphenyl)-py 4-[hydroxy-(4-methoxyphenyl)-met…

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) 4.27 10.7 -55.7 0 7 -1 95 462.551 6 ↓
Mid Mid (pH 6-8) 3.69 10.91 -11.83 0 7 0 89 463.559 6 ↓
Mid Mid (pH 6-8) 4.72 10.62 -19.16 1 7 0 93 463.559 5 ↓

Activity (Go SEA)

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