| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2009 | 15 | Yes |
Popular Name: (2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]-4-methyl-pentanoic (2S)-2-[[(2S)-2,3-diaminopropano…
| 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) | -3.48 | -0.93 | -68.83 | 6 | 6 | 0 | 123 | 217.269 | 6 | ↓ |
| Mid Mid (pH 6-8) | -3.48 | -1 | -61.93 | 6 | 6 | 0 | 123 | 217.269 | 6 | ↓ |
| Mid Mid (pH 6-8) | -3.48 | -0.52 | -135.29 | 7 | 6 | 1 | 125 | 218.277 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4923965 | IBM Patent Data |
