In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 24th, 2010 | 37 | No |
Popular Name: 1-[4-[1-[(2R)-2,6-diaminohexanoyl]-4-piperidyl]-1-piperidyl]pentadecan-1-one 1-[4-[1-[(2R)-2,6-diaminohexanoy…
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) | 6.27 | 13.88 | -115.07 | 6 | 6 | 2 | 96 | 522.863 | 19 | ↓ |
Hi High (pH 8-9.5) | 6.27 | 13.54 | -56.97 | 5 | 6 | 1 | 94 | 521.855 | 19 | ↓ |