| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 20 | No |
Popular Name: [(3S)-3-(4,4-diethyl-1-piperidyl)-1,1-dioxo-thian-3-yl]methanamine [(3S)-3-(4,4-diethyl-1-piperidyl…
| 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) | 1.24 | 1.71 | -46.24 | 3 | 4 | 1 | 65 | 303.492 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.24 | 3.07 | -43.56 | 3 | 4 | 1 | 65 | 303.492 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.24 | 3.57 | -134.32 | 4 | 4 | 2 | 66 | 304.5 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.24 | 1.31 | -9.06 | 2 | 4 | 0 | 63 | 302.484 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
