| 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]butanamide (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) | -0.75 | -1.19 | -47.7 | 5 | 5 | 1 | 83 | 216.305 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.75 | -3.15 | -9.32 | 4 | 5 | 0 | 82 | 215.297 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.75 | -0.85 | -123.63 | 6 | 5 | 2 | 84 | 217.313 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
