UCSF

ZINC65531584

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 No

Popular Name: (3aR)-5-[[(4R)-4H-imidazol-4-yl]methyl]-N-(2-pyridylmethyl)-3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]py (3aR)-5-[[(4R)-4H-imidazol-4-yl]…

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) -0.57 2.39 -42.14 4 8 1 90 340.411 5 ↓
Mid Mid (pH 6-8) -0.57 1.93 -13.82 3 8 0 89 339.403 5 ↓
Lo Low (pH 4.5-6) -0.57 2.8 -79.74 5 8 2 92 341.419 5 ↓

Activity (Go SEA)

Rings

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

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