In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 15 | No |
Popular Name: 4-[(3S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-3-yl]morpholine 4-[(3S)-1-[[(2R)-oxiran-2-yl]met…
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) | 0.17 | 1.38 | -39.39 | 1 | 4 | 1 | 29 | 213.301 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.17 | 1.19 | -38.11 | 1 | 4 | 1 | 29 | 213.301 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.17 | -1.01 | -5.85 | 0 | 4 | 0 | 28 | 212.293 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.