| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 18 | No |
Popular Name: [(3S)-3-[(3S,5R)-3,5-dimethyl-1-piperidyl]-1,1-dioxo-thian-3-yl]methanamine [(3S)-3-[(3S,5R)-3,5-dimethyl-1-…
| 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) | 0.63 | 0.99 | -45.95 | 3 | 4 | 1 | 65 | 275.438 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.63 | 2.37 | -41.75 | 3 | 4 | 1 | 65 | 275.438 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.63 | 0.24 | -8.83 | 2 | 4 | 0 | 63 | 274.43 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.63 | 2.87 | -130.53 | 4 | 4 | 2 | 66 | 276.446 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
