UCSF

ZINC67934573

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (3S)-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperid (3S)-3-[(1,2,3,5,6,7-hexahydropy…

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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) 2.14 9.71 -110.82 4 5 2 62 387.568 8 ↓
Hi High (pH 8-9.5) 2.14 9.22 -27.75 3 5 1 57 386.56 8 ↓
Hi High (pH 8-9.5) 2.14 6.84 -7.5 2 5 0 56 385.552 8 ↓
Mid Mid (pH 6-8) 2.14 7.63 -40.22 3 5 1 60 386.56 8 ↓

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Rings

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

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