UCSF

ZINC36354168

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 29 Yes

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

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) 2.84 5.7 -20.98 1 8 0 106 407.817 2 ↓
Ref Reference (pH 7) 2.65 8.45 -19.13 1 8 0 103 407.817 2 ↓

Activity (Go SEA)

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