| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 19 | No |
Popular Name: (3S)-3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,1-dioxo-thian-3-amine (3S)-3-(aminomethyl)-N-methyl-N-…
| 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) | -1.43 | 0.48 | -111.37 | 4 | 6 | 2 | 84 | 288.417 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.43 | -0.35 | -36.65 | 3 | 6 | 1 | 82 | 287.409 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.43 | -0.16 | -49.79 | 3 | 6 | 1 | 83 | 287.409 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.43 | -1.03 | -17.21 | 2 | 6 | 0 | 81 | 286.401 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
