| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 19 | No |
Popular Name: N-[(3R)-3-(aminomethyl)-1,1-dioxo-thian-3-yl]-N,1-dimethyl-piperidin-4-amine N-[(3R)-3-(aminomethyl)-1,1-diox…
| 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) | -0.57 | 0.56 | -106.3 | 4 | 5 | 2 | 69 | 291.461 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.57 | -0.14 | -47.43 | 3 | 5 | 1 | 68 | 290.453 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
