UCSF

ZINC17138366

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 29 No

Popular Name: (4E,5R)-4-[hydroxy-(p-tolyl)methylene]-5-(4-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione (4E,5R)-4-[hydroxy-(p-tolyl)meth…

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) 1.70 7.73 -61.59 0 6 -1 86 384.415 5 ↓
Mid Mid (pH 6-8) 1.12 8.9 -12.69 0 6 0 80 385.423 5 ↓
Mid Mid (pH 6-8) 2.15 8.14 -12.31 1 6 0 83 385.423 4 ↓
Lo Low (pH 4.5-6) 1.12 9.17 -47.19 1 6 1 81 386.431 5 ↓
Lo Low (pH 4.5-6) 1.12 9.45 -102.12 2 6 2 83 387.439 5 ↓
Lo Low (pH 4.5-6) 1.12 9.17 -49.16 1 6 1 81 386.431 5 ↓
Lo Low (pH 4.5-6) 2.15 8.42 -45.65 2 6 1 85 386.431 4 ↓
Lo Low (pH 4.5-6) 2.15 8.43 -55.84 2 6 1 85 386.431 4 ↓
Lo Low (pH 4.5-6) 2.15 8.71 -106.74 3 6 2 86 387.439 4 ↓

Activity (Go SEA)

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