| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 17 | No |
Popular Name: (3R)-N-[(3R)-1,1-dioxothian-3-yl]-N-propyl-pyrrolidin-3-amine (3R)-N-[(3R)-1,1-dioxothian-3-yl…
| 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) | 0.92 | -0.75 | -10.15 | 1 | 4 | 0 | 49 | 260.403 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | 0.91 | -47.7 | 2 | 4 | 1 | 54 | 261.411 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.92 | 3.14 | -120.8 | 3 | 4 | 2 | 55 | 262.419 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.92 | 1.4 | -48.07 | 2 | 4 | 1 | 51 | 261.411 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
