UCSF

ZINC69993465

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 21 Yes

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

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) 2.97 8.34 -30.79 2 4 1 34 291.463 6 ↓
Hi High (pH 8-9.5) 2.97 6.09 -5.82 1 4 0 33 290.455 6 ↓
Lo Low (pH 4.5-6) 2.97 9.61 -104.06 3 4 2 39 292.471 6 ↓

Activity (Go SEA)

Rings

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

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