| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 17 | Yes |
Popular Name: (2S)-2-(ethylamino)-4-[(2R)-2-methyl-1,4-oxazepan-4-yl]butanoic (2S)-2-(ethylamino)-4-[(2R)-2-me…
| 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) | -0.97 | 3.95 | -34.52 | 2 | 5 | 0 | 69 | 244.335 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.97 | 4.82 | -57.11 | 2 | 5 | 0 | 66 | 244.335 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.97 | 5.94 | -81.87 | 3 | 5 | 1 | 70 | 245.343 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
