| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 15 | Yes |
Popular Name: (2S)-2-amino-4-[(2S)-2-methyl-1,4-oxazepan-4-yl]butanoic (2S)-2-amino-4-[(2S)-2-methyl-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) | -2.25 | 1.13 | -40.45 | 3 | 5 | 0 | 80 | 216.281 | 4 | ↓ |
| Mid Mid (pH 6-8) | -2.25 | 2.76 | -55.25 | 3 | 5 | 0 | 80 | 216.281 | 4 | ↓ |
| Mid Mid (pH 6-8) | -2.25 | 3.08 | -87.3 | 4 | 5 | 1 | 81 | 217.289 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
