| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 18 | No |
Popular Name: (3S)-N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1,1-dioxo-thiolan-3-amine (3S)-N-[[2-(aminomethyl)phenyl]m…
| 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) | 0.40 | 2.95 | -141.05 | 4 | 4 | 2 | 66 | 270.398 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 0.63 | -11.45 | 2 | 4 | 0 | 63 | 268.382 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 2.55 | -55.92 | 3 | 4 | 1 | 65 | 269.39 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 0.99 | -61.31 | 3 | 4 | 1 | 65 | 269.39 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
