UCSF

ZINC40116400

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 24 No

Popular Name: (2S)-4-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-(5-methylfuran-2-carbonyl)-1,2-dihydropyrrol-5-one (2S)-4-hydroxy-2-(4-hydroxy-3-me…

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) 0.95 1.76 -59.17 2 7 -1 112 328.3 4 ↓
Lo Low (pH 4.5-6) 0.95 0.86 -15.82 3 7 0 109 329.308 4 ↓

Activity (Go SEA)

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