| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 19 | Yes |
Popular Name: N-[[(3S)-1-(3-imidazol-1-ylpropyl)-3-piperidyl]methyl]propan-1-amine 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) | 1.38 | 10.66 | -169.2 | 4 | 4 | 3 | 40 | 267.441 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.38 | 7.93 | -44.89 | 2 | 4 | 1 | 38 | 265.425 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.38 | 8.44 | -79.17 | 3 | 4 | 2 | 39 | 266.433 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.38 | 10.15 | -112.57 | 3 | 4 | 2 | 39 | 266.433 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
