UCSF

ZINC36159061

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 33 Yes

Popular Name: [[(2R)-3-benzyloxy-2-hydroxy-propyl]-cyclohexyl-amino]methylBLAHone [[(2R)-3-benzyloxy-2-hydroxy-pro…

Find On: PubMed — Wikipedia — Google

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) 4.15 10.89 -56.41 3 6 1 80 468.643 9 ↓
Hi High (pH 8-9.5) 4.61 8.36 -55.21 2 6 0 83 467.635 9 ↓
Hi High (pH 8-9.5) 4.15 8.86 -16.89 2 6 0 78 467.635 9 ↓

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