| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | No |
Popular Name: [(3R)-3-(4,4-diethyl-1-piperidyl)tetrahydrothiophen-3-yl]methanamine [(3R)-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) | 2.09 | 6.36 | -130.39 | 4 | 2 | 2 | 32 | 258.475 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.09 | 3.81 | -1.81 | 2 | 2 | 0 | 29 | 256.459 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.09 | 6.03 | -33.11 | 3 | 2 | 1 | 30 | 257.467 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.09 | 4.58 | -47.37 | 3 | 2 | 1 | 31 | 257.467 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
