UCSF

ZINC13570410

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 31 No

Popular Name: (4E,5S)-4-[(4-ethoxyphenyl)-hydroxy-methylene]-5-(2-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dion (4E,5S)-4-[(4-ethoxyphenyl)-hydr…

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) 1.80 7.87 -64.76 0 7 -1 95 414.441 7 ↓
Mid Mid (pH 6-8) 1.22 8.64 -11.6 0 7 0 89 415.449 7 ↓
Mid Mid (pH 6-8) 1.80 8.25 -11.7 1 7 0 93 415.449 7 ↓
Lo Low (pH 4.5-6) 1.80 8.71 -30.72 2 7 1 94 416.457 7 ↓
Lo Low (pH 4.5-6) 1.80 8.98 -101.13 3 7 2 95 417.465 7 ↓
Lo Low (pH 4.5-6) 1.80 8.54 -39.35 2 7 1 94 416.457 7 ↓
Lo Low (pH 4.5-6) 1.22 8.93 -42.32 1 7 1 91 416.457 7 ↓
Lo Low (pH 4.5-6) 1.22 9.09 -37.41 1 7 1 91 416.457 7 ↓
Lo Low (pH 4.5-6) 1.22 9.37 -111.12 2 7 2 92 417.465 7 ↓

Activity (Go SEA)

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