| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 16 | Yes |
Popular Name: (1S)-N-(cyclobutylmethyl)-N-methyl-1-(2-pyridyl)ethane-1,2-diamine (1S)-N-(cyclobutylmethyl)-N-meth…
| 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) | 0.60 | 4.09 | -37.67 | 3 | 3 | 1 | 44 | 220.34 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.60 | 3.63 | -3.82 | 2 | 3 | 0 | 42 | 219.332 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.60 | 4.27 | -101.5 | 4 | 3 | 2 | 45 | 221.348 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
