UCSF

ZINC36365704

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 30 Yes

Popular Name: (4R)-3-methyl-4-(6-methyl-4-oxo-chromen-3-yl)-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[3, (4R)-3-methyl-4-(6-methyl-4-oxo-…

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) 2.36 3.03 -72.4 1 9 -1 129 402.39 2 ↓
Ref Reference (pH 7) 2.18 6.51 -72 1 9 -1 126 402.39 2 ↓
Lo Low (pH 4.5-6) 1.91 4.9 -23.76 2 9 0 126 403.398 2 ↓
Lo Low (pH 4.5-6) 1.72 8.33 -26.74 2 9 0 123 403.398 2 ↓

Activity (Go SEA)

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