UCSF

ZINC69778553

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 25 Yes

Popular Name: 1H-indazol-4-yl-[4-[methyl(pyridazin-3-yl)amino]-1-piperidyl]methanone 1H-indazol-4-yl-[4-[methyl(pyrid…

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) 1.06 6.85 -15.61 1 7 0 78 336.399 3 ↓
Mid Mid (pH 6-8) 1.06 6.92 -43.11 2 7 1 79 337.407 3 ↓
Mid Mid (pH 6-8) 1.06 6.81 -40.41 2 7 1 79 337.407 3 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.