UCSF

ZINC67433422

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 26 Yes

Popular Name: (1R,9aR)-1-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinol (1R,9aR)-1-[[methyl-[(5-phenyl-1…

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) 2.48 6.56 -35.25 3 5 1 57 355.506 5 ↓
Lo Low (pH 4.5-6) 2.48 8.37 -105.59 4 5 2 58 356.514 5 ↓

Activity (Go SEA)

Rings

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

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