UCSF

ZINC65508452

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 22 No

Popular Name: (3R,3aS)-5,7-dimethyl-3-[(4R)-5-phenyl-4H-imidazol-4-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidine (3R,3aS)-5,7-dimethyl-3-[(4R)-5-…

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) 2.69 7.72 -10.87 1 5 0 57 291.358 2 ↓
Lo Low (pH 4.5-6) 2.69 8.19 -32.96 2 5 1 58 292.366 2 ↓

Activity (Go SEA)

Rings

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

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