| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 16 | Yes |
Popular Name: Valyl-Aspartate Valyl-Aspartate
| 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) | -3.30 | 2.29 | -99.54 | 4 | 7 | -1 | 137 | 231.228 | 6 | ↓ |
| Hi High (pH 8-9.5) | -3.30 | 1.66 | -108.51 | 3 | 7 | -2 | 135 | 230.22 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -3.30 | -0.08 | -59.42 | 5 | 7 | 0 | 134 | 232.236 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0932598A1; WO1998016502A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.