In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | Yes |
Popular Name: 2-[1-[[[(2R)-2,4-diamino-4-oxo-butanoyl]amino]methyl]cyclohexyl]acetic 2-[1-[[[(2R)-2,4-diamino-4-oxo-b…
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) | 0.01 | -0.17 | -59.38 | 6 | 7 | 0 | 140 | 285.344 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.01 | -0.5 | -55.1 | 5 | 7 | -1 | 138 | 284.336 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.01 | -2.15 | -44.52 | 7 | 7 | 1 | 137 | 286.352 | 7 | ↓ |