UCSF

ZINC49565569

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 20 Yes

Popular Name: 2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-(4-methylpiperazin-1-yl)ethanone 2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…

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) 0.38 6.15 -82.63 3 5 2 41 282.432 3 ↓
Hi High (pH 8-9.5) 0.38 3.81 -34.86 2 5 1 40 281.424 3 ↓
Hi High (pH 8-9.5) 0.38 1.56 -8.06 1 5 0 39 280.416 3 ↓
Hi High (pH 8-9.5) 0.38 2.8 -42.05 2 5 1 43 281.424 3 ↓
Mid Mid (pH 6-8) 0.38 7.41 -183.05 4 5 3 46 283.44 3 ↓

Activity (Go SEA)

Rings

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

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