| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 19 | No |
Popular Name: [(3R)-1,1-dioxo-3-(4-propyl-1-piperidyl)thian-3-yl]methanamine [(3R)-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 | 1.89 | -50.99 | 3 | 4 | 1 | 65 | 289.465 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 3.66 | -136.98 | 4 | 4 | 2 | 66 | 290.473 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 3.18 | -43.51 | 3 | 4 | 1 | 65 | 289.465 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 1.54 | -8.59 | 2 | 4 | 0 | 63 | 288.457 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
