UCSF

ZINC69493229

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 25 Yes

Popular Name: (3R,5R)-3-[[1-[(2R)-2-hydroxy-2-phenyl-ethyl]-4-piperidyl]methyl-methyl-amino]-5-methyl-tetrahydrofu (3R,5R)-3-[[1-[(2R)-2-hydroxy-2-…

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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) 0.90 9.72 -106.23 3 5 2 55 348.487 6 ↓
Hi High (pH 8-9.5) 0.90 5.17 -10.11 1 5 0 53 346.471 6 ↓
Mid Mid (pH 6-8) 0.90 7.44 -44.82 2 5 1 54 347.479 6 ↓

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

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