| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 15 | No |
Popular Name: 4-[[(2R,4S)-4-methoxypyrrolidin-2-yl]methyl]-1,4-thiazepane 4-[[(2R,4S)-4-methoxypyrrolidin-…
| 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) | 0.88 | 3.94 | -36.44 | 2 | 3 | 1 | 26 | 231.385 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.88 | 5.3 | -120.88 | 3 | 3 | 2 | 30 | 232.393 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.88 | 3.61 | -39.03 | 2 | 3 | 1 | 29 | 231.385 | 3 | ↓ |
