UCSF

ZINC69518175

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 23 Yes

Popular Name: (3S)-3-[[1-[(2R)-2-hydroxy-2-phenyl-ethyl]-4-piperidyl]methylamino]tetrahydrofuran-2-one (3S)-3-[[1-[(2R)-2-hydroxy-2-phe…

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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) 0.55 6.03 -43.82 3 5 1 63 319.425 6 ↓
Mid Mid (pH 6-8) 0.55 7.09 -108.36 4 5 2 68 320.433 6 ↓

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

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