UCSF

ZINC52882187

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 20 Yes

Popular Name: (2R)-1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-amino-2-phenyl-propan-1-one (2R)-1-[(8aR)-3,4,6,7,8,8a-hexah…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 1.38 5.76 -39.06 3 4 1 51 274.388 2 ↓
Mid Mid (pH 6-8) 1.38 3.66 -5.89 2 4 0 50 273.38 2 ↓
Lo Low (pH 4.5-6) 1.38 5.96 -103.11 4 4 2 52 275.396 2 ↓

Activity (Go SEA)

Rings

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

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