| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | No |
Popular Name: (3S)-4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methyl]-3-methyl-thiomorpholine (3S)-4-[[(2S,4S)-4-methoxypyrrol…
| 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) | 0.94 | 3.17 | -39.42 | 2 | 3 | 1 | 29 | 231.385 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 3.83 | -33.5 | 2 | 3 | 1 | 26 | 231.385 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 1.62 | -3.32 | 1 | 3 | 0 | 24 | 230.377 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.94 | 4.97 | -118.57 | 3 | 3 | 2 | 30 | 232.393 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
