UCSF

ZINC41532202

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 25 No

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

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) 3.11 8.81 -53.9 0 5 -1 74 377.203 4 ↓
Lo Low (pH 4.5-6) 3.11 7.92 -11.79 1 5 0 71 378.211 4 ↓

Activity (Go SEA)

Rings

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