UCSF

ZINC36360906

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 29 Yes

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

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) 1.94 1.78 -63.97 1 9 -1 129 388.363 2 ↓
Ref Reference (pH 7) 1.75 4.53 -58.42 1 9 -1 126 388.363 2 ↓
Lo Low (pH 4.5-6) 1.48 3.67 -20.79 2 9 0 126 389.371 2 ↓
Lo Low (pH 4.5-6) 1.30 6.35 -19.62 2 9 0 123 389.371 2 ↓

Activity (Go SEA)

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