UCSF

ZINC41532513

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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) 2.98 9.29 -59.57 0 6 -1 83 380.42 7 ↓
Lo Low (pH 4.5-6) 2.98 8.4 -12.26 1 6 0 80 381.428 7 ↓

Activity (Go SEA)

Rings

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