| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 14 | No |
Popular Name: [(2S,3S)-3-methyl-1-[(3R)-tetrahydrothiophen-3-yl]-2-piperidyl]methanamine [(2S,3S)-3-methyl-1-[(3R)-tetrah…
| 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) | 0.93 | 3.48 | -46.72 | 3 | 2 | 1 | 31 | 215.386 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 5.36 | -30.47 | 3 | 2 | 1 | 30 | 215.386 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 5.18 | -124.89 | 4 | 2 | 2 | 32 | 216.394 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
