| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | No |
Popular Name: [(3S)-3-(4-ethyl-4-methyl-1-piperidyl)tetrahydrothiopyran-3-yl]methanamine [(3S)-3-(4-ethyl-4-methyl-1-pipe…
| 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) | 2.03 | 6.47 | -121.87 | 4 | 2 | 2 | 32 | 258.475 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 3.87 | -1.34 | 2 | 2 | 0 | 29 | 256.459 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | 6.01 | -29.26 | 3 | 2 | 1 | 30 | 257.467 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | 4.58 | -41.52 | 3 | 2 | 1 | 31 | 257.467 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
