In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 15 | Yes |
Popular Name: (1S,2S)-2-(2-aminoethylcarbamoyl)cyclohexanecarboxylic (1S,2S)-2-(2-aminoethylcarbamoyl…
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) | -0.38 | 2.48 | -84.3 | 4 | 5 | 0 | 97 | 214.265 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.38 | 2.1 | -60.1 | 3 | 5 | -1 | 95 | 213.257 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.38 | 0.52 | -52.15 | 5 | 5 | 1 | 94 | 215.273 | 4 | ↓ |