UCSF

ZINC53632244

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 24 No

Popular Name: (5S,6aS)-5-(2-butyl-1H-imidazol-5-yl)-1-(1-methyl-4-piperidyl)-6,6a-dihydro-5H-imidazo[4,5-c]pyrazol (5S,6aS)-5-(2-butyl-1H-imidazol-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.54 4.32 -78.44 4 7 2 74 331.468 5 ↓
Hi High (pH 8-9.5) 1.54 1.47 -8.51 2 7 0 72 329.452 5 ↓
Mid Mid (pH 6-8) 1.54 3.87 -38.13 3 7 1 73 330.46 5 ↓

Activity (Go SEA)

Rings

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

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