In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 15th, 2011 | 22 | Yes |
Popular Name: 4-cyano-N-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]butane-1-sulfonamide 4-cyano-N-[2-[(3S,5S)-3,5-dimeth…
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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 | 6.62 | -44.58 | 2 | 5 | 1 | 74 | 330.518 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.17 | 4.87 | -14.78 | 1 | 5 | 0 | 73 | 329.51 | 8 | ↓ |