UCSF

ZINC09461004

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 36 No

Popular Name: 3-hydroxy-1-(2-methoxyethyl)-5-(3-methoxyphenyl)-4-[4-(m-tolylmethoxy)benzoyl]-5H-pyrrol-2-one 3-hydroxy-1-(2-methoxyethyl)-5-(…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 4.47 10.83 -62.91 0 7 -1 88 486.544 10 ↓
Mid Mid (pH 6-8) 4.92 9.65 -26.63 1 7 0 85 487.552 9 ↓
Mid Mid (pH 6-8) 3.89 10.63 -21.28 0 7 0 82 487.552 10 ↓

Activity (Go SEA)

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