| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 20 | No |
Popular Name: (3R)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-1,1-dioxo-thian-3-amine (3R)-N-[[2-(dimethylaminomethyl)…
| 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) | 1.04 | 5.61 | -127.89 | 3 | 4 | 2 | 55 | 298.452 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 2.31 | -10.73 | 1 | 4 | 0 | 49 | 296.436 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.04 | 4.33 | -46.57 | 2 | 4 | 1 | 51 | 297.444 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
