| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 19 | No |
Popular Name: [(3S)-1,1-dioxo-3-(4-propyl-1-piperidyl)thian-3-yl]methanamine [(3S)-1,1-dioxo-3-(4-propyl-1-pi…
| 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) | 1.40 | 1.83 | -45.76 | 3 | 4 | 1 | 65 | 289.465 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 1.43 | -9.05 | 2 | 4 | 0 | 63 | 288.457 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 3.71 | -131.72 | 4 | 4 | 2 | 66 | 290.473 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 3.22 | -43.31 | 3 | 4 | 1 | 65 | 289.465 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
