| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2011 | 33 | Yes |
Popular Name: AMASTATIN; [67655-94-1] AMASTATIN; [67655-94-1]
Amastatin [67655-94-1]; ((Amino-2-hydroxy-5-methyl-hexanoyl)-L-valyl-L-valyl-L-aspartic acid)
| 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) | -2.99 | 2.84 | -128.44 | 7 | 12 | -1 | 215 | 473.547 | 14 | ↓ |
| Hi High (pH 8-9.5) | -2.99 | 2.54 | -109.98 | 6 | 12 | -2 | 214 | 472.539 | 14 | ↓ |
| Mid Mid (pH 6-8) | -2.99 | 3.45 | -133.59 | 6 | 12 | -2 | 218 | 472.539 | 14 | ↓ |
| Lo Low (pH 4.5-6) | -2.99 | 0.9 | -72.02 | 8 | 12 | 0 | 213 | 474.555 | 14 | ↓ |
| Lo Low (pH 4.5-6) | -2.99 | 0.94 | -79.24 | 8 | 12 | 0 | 213 | 474.555 | 14 | ↓ |
No pre-computed analogs available. Try a structural similarity search.