| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 17 | Yes |
Popular Name: (2R)-2-[[(2S,3R)-2-amino-3-methyl-pentanoyl]amino]butanedioic (2R)-2-[[(2S,3R)-2-amino-3-methy…
| 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) | -2.80 | 2.6 | -101.26 | 4 | 7 | -1 | 137 | 245.255 | 7 | ↓ |
| Hi High (pH 8-9.5) | -2.80 | 2.28 | -113.07 | 3 | 7 | -2 | 135 | 244.247 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -2.80 | 0.62 | -58.92 | 5 | 7 | 0 | 134 | 246.263 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.