UCSF

ZINC31820450

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 25 Yes

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

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) 2.94 2.41 -55.84 1 7 -1 99 399.228 2 ↓
Ref Reference (pH 7) 2.75 5.1 -53.04 1 7 -1 96 399.228 2 ↓
Lo Low (pH 4.5-6) 2.48 4.28 -14.53 2 7 0 96 400.236 2 ↓
Lo Low (pH 4.5-6) 2.30 6.92 -15.44 2 7 0 93 400.236 2 ↓

Activity (Go SEA)

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