In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 15 | No |
Popular Name: [(3R)-1-(1,1-dioxothian-4-yl)pyrrolidin-3-yl]methanamine [(3R)-1-(1,1-dioxothian-4-yl)pyr…
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) | -0.56 | -1.46 | -55.9 | 3 | 4 | 1 | 65 | 233.357 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.56 | 0.94 | -125.69 | 4 | 4 | 2 | 66 | 234.365 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.