| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 18 | Yes |
Popular Name: (2S)-2-(isopropylamino)-4-[(2R)-2-methyl-1,4-oxazepan-4-yl]butanamide (2S)-2-(isopropylamino)-4-[(2R)-…
| 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) | 0.83 | 2.02 | -42.58 | 4 | 5 | 1 | 69 | 258.386 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | 0.17 | -6.78 | 3 | 5 | 0 | 68 | 257.378 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.83 | 2.96 | -115.63 | 5 | 5 | 2 | 73 | 259.394 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
