In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 15 | Yes |
Popular Name: 1-[(2S)-3-amino-2-hydroxy-propyl]-4-ethyl-piperazine-2,3-dione 1-[(2S)-3-amino-2-hydroxy-propyl…
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) | -2.59 | -0.25 | -66.95 | 4 | 6 | 1 | 88 | 216.261 | 4 | ↓ |
Hi High (pH 8-9.5) | -2.59 | -0.84 | -22.06 | 3 | 6 | 0 | 87 | 215.253 | 4 | ↓ |