| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 18 | No |
Popular Name: (3S)-N-[(1R)-1-methyl-2-(1-piperidyl)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1R)-1-methyl-2-(1-piper…
| 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) | 1.16 | 3.76 | -42.38 | 2 | 4 | 1 | 51 | 275.438 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 1.37 | -10.65 | 1 | 4 | 0 | 49 | 274.43 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 2.87 | -48.97 | 2 | 4 | 1 | 54 | 275.438 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 4.72 | -135.36 | 3 | 4 | 2 | 55 | 276.446 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
