UCSF

ZINC09234705

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 33 No

Popular Name: 4-[(4-allyloxyphenyl)-hydroxy-methylene]-5-(4-nitrophenyl)-1-thiazol-2-yl-pyrrolidine-2,3-dione 4-[(4-allyloxyphenyl)-hydroxy-me…

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) 3.79 10.7 -58 0 9 -1 128 462.463 8 ↓
Mid Mid (pH 6-8) 3.21 0.5 -17.96 0 9 0 122 463.471 8 ↓
Mid Mid (pH 6-8) 4.24 10.45 -18.55 1 9 0 126 463.471 7 ↓

Activity (Go SEA)

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