UCSF

ZINC41532519

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 28 No

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

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) 2.88 9.25 -59.59 0 6 -1 83 378.404 8 ↓
Lo Low (pH 4.5-6) 2.88 8.37 -12.38 1 6 0 80 379.412 8 ↓

Activity (Go SEA)

Rings

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