UCSF

ZINC67934560

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 28 Yes

Popular Name: (3R)-3-[(benzylamino)methyl]-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-piperidin-2-one (3R)-3-[(benzylamino)methyl]-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) 1.89 7.25 -50.5 3 6 1 76 385.484 8 ↓
Hi High (pH 8-9.5) 1.89 6.04 -11.13 2 6 0 71 384.476 8 ↓

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

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