UCSF

ZINC36139771

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 42 No

Popular Name: 5-cyano-N-[3-[(1R)-1-[(2S)-6-hydroxy-4-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl]-2,2-dimethyl-propyl]p 5-cyano-N-[3-[(1R)-1-[(2S)-6-hyd…

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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) 7.20 13.91 -54.81 0 8 -1 128 586.734 11 ↓
Lo Low (pH 4.5-6) 7.20 13.91 -18.08 1 8 0 126 587.742 11 ↓
Lo Low (pH 4.5-6) 7.20 14.4 -44.44 1 8 0 130 587.742 11 ↓

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