| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 17 | No |
Popular Name: 4-(aminomethyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-pyridin-2-amine 4-(aminomethyl)-N-[(3R)-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) | -0.20 | 1.07 | -59.33 | 3 | 5 | 1 | 78 | 256.351 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.20 | 0.68 | -13.53 | 2 | 5 | 0 | 76 | 255.343 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.20 | 0.98 | -41.41 | 3 | 5 | 1 | 78 | 256.351 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
