| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 18 | Yes |
Popular Name: (1S,2R)-N1-(cyclobutylmethyl)-N1-methyl-1-(2-pyridyl)butane-1,2-diamine (1S,2R)-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) | 1.54 | 5.47 | -43.12 | 3 | 3 | 1 | 44 | 248.394 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.54 | 6.91 | -28.54 | 3 | 3 | 1 | 43 | 248.394 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.54 | 5.27 | -2.52 | 2 | 3 | 0 | 42 | 247.386 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.54 | 5.56 | -106.04 | 4 | 3 | 2 | 45 | 249.402 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
