| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 18 | Yes |
Popular Name: (2S)-N-[(5-ethyl-2-thienyl)methyl]-2-(1-piperidyl)propan-1-amine (2S)-N-[(5-ethyl-2-thienyl)methy…
| 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) | 3.46 | 8.57 | -29.31 | 2 | 2 | 1 | 16 | 267.462 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 7.88 | -37.51 | 2 | 2 | 1 | 20 | 267.462 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 9.78 | -115.32 | 3 | 2 | 2 | 21 | 268.47 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
