| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2012 | 33 | Yes |
Popular Name: (Amino-2-hydroxy-5-methyl-hexanoyl)-L-valyl-L-valyl-L-aspartic acid hydrochloride salt (Amino-2-hydroxy-5-methyl-hexano…
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CAS Number: 100938-10-1
| 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 | 3.44 | -128.4 | 7 | 12 | -1 | 215 | 473.547 | 14 | ↓ |
| Hi High (pH 8-9.5) | -2.99 | 3.29 | -110.33 | 6 | 12 | -2 | 214 | 472.539 | 14 | ↓ |
| Mid Mid (pH 6-8) | -2.99 | 4.23 | -145.25 | 6 | 12 | -2 | 218 | 472.539 | 14 | ↓ |
| Lo Low (pH 4.5-6) | -2.99 | 1.51 | -72.24 | 8 | 12 | 0 | 213 | 474.555 | 14 | ↓ |
| Lo Low (pH 4.5-6) | -2.99 | 1.59 | -81.47 | 8 | 12 | 0 | 213 | 474.555 | 14 | ↓ |
No pre-computed analogs available. Try a structural similarity search.