UCSF

ZINC67947431

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[[(5-methyl-2-furyl)methylamino]methyl]piperidin-2- (3R)-1-[(2,3-dimethoxyphenyl)met…

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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) 1.37 6.69 -45.02 3 7 1 89 389.472 8 ↓
Mid Mid (pH 6-8) 1.37 6.2 -13.22 2 7 0 84 388.464 8 ↓

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

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