UCSF

ZINC20310480

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 34 No

Popular Name: (5S)-3-hydroxy-4-(2-hydroxy-5-methyl-benzoyl)-1-(2-morpholinoethyl)-5-(3-nitrophenyl)-5H-pyrrol-2-on (5S)-3-hydroxy-4-(2-hydroxy-5-me…

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) 2.55 7.05 -51.13 1 10 -1 139 466.47 7 ↓
Hi High (pH 8-9.5) 2.55 7.89 -129.48 0 10 -2 142 465.462 7 ↓
Mid Mid (pH 6-8) 2.55 9.38 -70.82 2 10 0 140 467.478 7 ↓

Activity (Go SEA)

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