| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 16 | Yes |
Popular Name: (2S)-2-(methylamino)-4-[(2S)-2-methyl-1,4-oxazepan-4-yl]butanamide (2S)-2-(methylamino)-4-[(2S)-2-m…
| 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) | 0.16 | -0.1 | -44.98 | 4 | 5 | 1 | 69 | 230.332 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.16 | -2.06 | -7.87 | 3 | 5 | 0 | 68 | 229.324 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.16 | 1.01 | -119.92 | 5 | 5 | 2 | 73 | 231.34 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
