UCSF

ZINC09242360

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 28 No

Popular Name: 3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(4-methoxyphenyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-1-[2-(2-hydroxyethoxy)…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD04020377

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) 1.59 3.52 -67.14 1 7 -1 99 402.448 9 ↓
Mid Mid (pH 6-8) 1.01 -3.86 -15.64 1 7 0 93 403.456 9 ↓
Mid Mid (pH 6-8) -0.38 -0.06 -12.26 0 8 0 89 316.383 3 ↓
Lo Low (pH 4.5-6) 1.59 2.7 -20.14 2 7 0 96 403.456 9 ↓

Activity (Go SEA)

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