| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 18 | Yes |
Popular Name: (2S)-2-(isopropylamino)-4-[(2S)-2-methyl-1,4-oxazepan-4-yl]butanoic (2S)-2-(isopropylamino)-4-[(2S)-…
| 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) | -0.67 | 4.13 | -35.44 | 2 | 5 | 0 | 69 | 258.362 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.67 | 5.17 | -49.22 | 2 | 5 | 0 | 66 | 258.362 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.67 | 6.19 | -82.2 | 3 | 5 | 1 | 70 | 259.37 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
