| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 20 | No |
Popular Name: (3S)-N-[(1R)-1-methyl-3-(m-tolyl)propyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1R)-1-methyl-3-(m-tolyl…
| 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) | 2.96 | 6.5 | -57.25 | 2 | 3 | 1 | 51 | 296.456 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.96 | 5.34 | -12.26 | 1 | 3 | 0 | 46 | 295.448 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
