UCSF

ZINC36367313

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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 0.92 -57.58 1 9 -1 118 378.368 2 ↓
Ref Reference (pH 7) 1.45 3.63 -54.51 1 9 -1 114 378.368 2 ↓
Lo Low (pH 4.5-6) 1.18 2.8 -16.11 2 9 0 115 379.376 2 ↓
Lo Low (pH 4.5-6) 1.00 5.45 -16.77 2 9 0 111 379.376 2 ↓

Activity (Go SEA)

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