UCSF

ZINC33836956

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 21 No

Popular Name: (2R,3R,6S)-3-methyl-2,6-diphenyl-piperidin-4-one (2R,3R,6S)-3-methyl-2,6-diphenyl…

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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) 2.86 6.16 -5.77 2 3 0 45 280.371 2 ↓
Mid Mid (pH 6-8) 2.86 7.37 -40.15 3 3 1 49 281.379 2 ↓
Mid Mid (pH 6-8) 2.86 7.37 -40.89 3 3 1 49 281.379 2 ↓

Activity (Go SEA)

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