UCSF

ZINC41532507

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 27 No

Popular Name: (2S)-2-(3-ethoxyphenyl)-1-ethyl-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2H-pyrrol-5-one (2S)-2-(3-ethoxyphenyl)-1-ethyl-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.61 8.67 -59.73 0 6 -1 83 366.393 7 ↓
Lo Low (pH 4.5-6) 2.61 7.78 -12.41 1 6 0 80 367.401 7 ↓

Activity (Go SEA)

Rings

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