| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 16 | No |
Popular Name: 3-[[(1S,3S)-1-(hydroxymethyl)-3-methyl-cyclohexyl]amino]-3-oxo-propanoic 3-[[(1S,3S)-1-(hydroxymethyl)-3-…
| 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) | 0.28 | 3.03 | -53.66 | 2 | 5 | -1 | 89 | 228.268 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.28 | 1.05 | -13.3 | 3 | 5 | 0 | 87 | 229.276 | 4 | ↓ |
