In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | Yes |
Popular Name: 1-[2-[[(2R)-2-cyanopropyl]-ethyl-amino]-2-oxo-ethyl]cycloheptanecarboxylic 1-[2-[[(2R)-2-cyanopropyl]-ethyl…
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) | 2.58 | 9.54 | -58.53 | 0 | 5 | -1 | 84 | 293.387 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.58 | 7.51 | -15.61 | 1 | 5 | 0 | 81 | 294.395 | 6 | ↓ |