UCSF

ZINC55078543

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 21 Yes

Popular Name: [(1R,5S)-3-(4-isobutylpiperazin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine [(1R,5S)-3-(4-isobutylpiperazin-…

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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) 1.03 5.7 -178.54 5 4 3 40 297.511 4 ↓
Hi High (pH 8-9.5) 1.03 3.74 -101.31 4 4 2 39 296.503 4 ↓
Hi High (pH 8-9.5) 1.03 2.94 -34.59 3 4 1 37 295.495 4 ↓
Hi High (pH 8-9.5) 1.03 4.9 -81.72 4 4 2 38 296.503 4 ↓

Activity (Go SEA)

Rings

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

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