UCSF

ZINC69810621

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 20 Yes

Popular Name: 2-[[[(1S)-1-(2-chlorophenyl)ethyl]-methyl-amino]methyl]-5-hydroxy-pyran-4-one 2-[[[(1S)-1-(2-chlorophenyl)ethy…

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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) 2.17 7 -52.82 2 4 1 55 294.758 4 ↓
Hi High (pH 8-9.5) 2.17 6.24 -51.65 0 4 -1 57 292.742 4 ↓
Mid Mid (pH 6-8) 2.17 7.86 -65.22 1 4 0 58 293.75 4 ↓
Mid Mid (pH 6-8) 2.17 5.38 -14.76 1 4 0 54 293.75 4 ↓

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

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