| 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]butanamide (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) | 0.53 | 0.96 | -48.29 | 4 | 5 | 1 | 69 | 244.359 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.53 | -0.94 | -9.58 | 3 | 5 | 0 | 68 | 243.351 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.53 | 2.09 | -116.87 | 5 | 5 | 2 | 73 | 245.367 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
