| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 18 | Yes |
Popular Name: N-[(1S)-1-(3-methyl-2-thienyl)ethyl]-3-(1-piperidyl)propan-1-amine N-[(1S)-1-(3-methyl-2-thienyl)et…
| 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) | 3.54 | 8.15 | -33.64 | 2 | 2 | 1 | 16 | 267.462 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.54 | 9.35 | -103.74 | 3 | 2 | 2 | 21 | 268.47 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
