UCSF

ZINC39500534

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 27 No

Popular Name: (3R)-5-(2H-imidazol-2-ylmethyl)-3-(4-phenylphenyl)-3,4,6,7-tetrahydro-2H-isoxazolo[4,5-c]pyridine (3R)-5-(2H-imidazol-2-ylmethyl)-…

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) 3.78 5.14 -10 1 5 0 49 358.445 4 ↓
Mid Mid (pH 6-8) 3.78 7.38 -39.42 2 5 1 50 359.453 4 ↓

Activity (Go SEA)

Rings

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

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