UCSF

ZINC49565067

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 18 Yes

Popular Name: (1R,8aR)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(4,5-dimethyl-1,2,4-…

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) 0.26 7.83 -121.39 3 5 2 52 251.378 3 ↓
Hi High (pH 8-9.5) 0.26 6.57 -40.7 2 5 1 47 250.37 3 ↓
Hi High (pH 8-9.5) 0.26 4.32 -9.88 1 5 0 46 249.362 3 ↓

Activity (Go SEA)

Rings

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

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