UCSF

ZINC69745089

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 21 Yes

Popular Name: 2-[[[(1S)-2,2-dimethyl-1-phenyl-propyl]amino]methyl]-5-hydroxy-pyran-4-one 2-[[[(1S)-2,2-dimethyl-1-phenyl-…

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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) 2.62 6.54 -56.96 3 4 1 67 288.367 5 ↓
Hi High (pH 8-9.5) 2.62 6.45 -52.47 1 4 -1 65 286.351 5 ↓
Mid Mid (pH 6-8) 2.62 5.59 -15.08 2 4 0 62 287.359 5 ↓
Mid Mid (pH 6-8) 2.62 7.4 -69.72 2 4 0 70 287.359 5 ↓

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Rings

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

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