UCSF

ZINC36367206

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 32 Yes

Popular Name: 3-[5-[(4S)-3-methyl-6-oxo-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-4-yl]-2- 3-[5-[(4S)-3-methyl-6-oxo-1-(6-o…

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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) 3.19 4.22 -118.73 1 10 -2 153 429.392 4 ↓
Ref Reference (pH 7) 3.01 6.96 -112.24 1 10 -2 149 429.392 4 ↓
Lo Low (pH 4.5-6) 2.74 6.1 -65.49 2 10 -1 149 430.4 4 ↓
Lo Low (pH 4.5-6) 2.55 8.78 -63.28 2 10 -1 146 430.4 4 ↓

Activity (Go SEA)

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