| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 20 | Yes |
Popular Name: (3S)-3-[[(1S)-1-(1-methyl-4-piperidyl)ethyl]amino]-3-(2-thienyl)propanoic (3S)-3-[[(1S)-1-(1-methyl-4-pipe…
| 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) | 2.23 | 8.87 | -70.17 | 3 | 4 | 1 | 61 | 297.444 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.23 | 7.93 | -66.64 | 2 | 4 | 0 | 57 | 296.436 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
