| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 18 | Yes |
Popular Name: N-[[(3S)-1-(3-imidazol-1-ylpropyl)-3-piperidyl]methyl]ethanamine N-[[(3S)-1-(3-imidazol-1-ylpropy…
| 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) | 0.88 | 9.91 | -167.09 | 4 | 4 | 3 | 40 | 253.414 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.88 | 7.18 | -43.92 | 2 | 4 | 1 | 38 | 251.398 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.88 | 7.69 | -78.01 | 3 | 4 | 2 | 39 | 252.406 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.88 | 9.4 | -110.84 | 3 | 4 | 2 | 39 | 252.406 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
