UCSF

ZINC65500950

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 27 No

Popular Name: [(3R)-3-[(3R,5S)-3-isopropyl-1,2,4-oxadiazolidin-5-yl]-1-piperidyl]-[(4R)-3-phenyl-4H-pyrazol-4-yl]m [(3R)-3-[(3R,5S)-3-isopropyl-1,2…

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) 2.50 3.54 -16.29 2 7 0 78 369.469 4 ↓
Mid Mid (pH 6-8) 2.50 5.43 -55.95 3 7 1 83 370.477 4 ↓

Activity (Go SEA)

Rings

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

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