| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: (2S,3S)-2-(2,5-dimethyl-3-thienyl)-1-ethyl-piperidin-3-amine (2S,3S)-2-(2,5-dimethyl-3-thieny…
| 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) | 1.60 | 5.26 | -35.94 | 3 | 2 | 1 | 31 | 239.408 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 4.6 | -1.88 | 2 | 2 | 0 | 29 | 238.4 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 6.48 | -27.45 | 3 | 2 | 1 | 30 | 239.408 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.60 | 6.85 | -107.88 | 4 | 2 | 2 | 32 | 240.416 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
