| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 5th, 2009 | 21 | Yes |
Popular Name: (2S)-2-[[(2R)-2-[[(2R)-2-amino-3-methyl-butanoyl]amino]propanoyl]amino]butanedioic (2S)-2-[[(2R)-2-[[(2R)-2-amino-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) | -3.87 | 1.78 | -119.95 | 5 | 9 | -1 | 166 | 302.307 | 8 | ↓ |
| Hi High (pH 8-9.5) | -3.87 | 1.48 | -108.74 | 4 | 9 | -2 | 164 | 301.299 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -3.87 | -0.68 | -72.44 | 6 | 9 | 0 | 163 | 303.315 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -3.87 | -0.68 | -66.63 | 6 | 9 | 0 | 163 | 303.315 | 8 | ↓ |
