UCSF

ZINC06143924

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 31 No

Popular Name: 3-hydroxy-4-(4-methylbenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-5H-pyrrol-2-one 3-hydroxy-4-(4-methylbenzoyl)-1-…

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) 2.89 10.38 -50.59 0 9 -1 132 435.441 5 ↓
Mid Mid (pH 6-8) 3.33 0.51 -26.21 1 9 0 129 436.449 4 ↓
Mid Mid (pH 6-8) 2.31 0.81 -18.43 0 9 0 126 436.449 5 ↓

Activity (Go SEA)

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