UCSF

ZINC38120726

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 17 Yes

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

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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) -0.13 3.15 -83.68 4 4 2 45 241.379 2 ↓
Hi High (pH 8-9.5) -0.13 1.81 -31.49 3 4 1 40 240.371 2 ↓
Lo Low (pH 4.5-6) -0.13 2.94 -189.55 5 4 3 46 242.387 2 ↓

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

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