UCSF

ZINC16624313

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 27 No

Popular Name: (2S)-N-(3-cyanophenyl)-2-[[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-methyl-amino]propanamide (2S)-N-(3-cyanophenyl)-2-[[2-[(2…

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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) 2.24 9.42 -51.63 3 6 1 86 365.457 6 ↓
Hi High (pH 8-9.5) 2.43 7.66 -27.99 2 6 0 93 364.449 6 ↓
Hi High (pH 8-9.5) 2.43 5.46 -41.28 1 6 -1 92 363.441 6 ↓

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