| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 17 | Yes |
Popular Name: (1R,2S)-N1-(cyclobutylmethyl)-N1-methyl-1-(4-pyridyl)propane-1,2-diamine (1R,2S)-N1-(cyclobutylmethyl)-N1…
| 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 | 3.54 | -45.65 | 3 | 3 | 1 | 44 | 234.367 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.88 | 3.22 | -2.78 | 2 | 3 | 0 | 42 | 233.359 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.88 | 6.21 | -124.79 | 4 | 3 | 2 | 45 | 235.375 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
