UCSF

ZINC36367312

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 28 Yes

Popular Name: (4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazo (4R)-4-(2,3-dihydro-1,4-benzodio…

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) 1.64 0.69 -52.98 1 9 -1 118 378.368 2 ↓
Ref Reference (pH 7) 1.45 3.44 -48.14 1 9 -1 114 378.368 2 ↓
Lo Low (pH 4.5-6) 1.18 2.57 -13.5 2 9 0 115 379.376 2 ↓
Lo Low (pH 4.5-6) 1.00 5.25 -13.09 2 9 0 111 379.376 2 ↓

Activity (Go SEA)

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