| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1S,2R)-N1-(4-ethylcyclohexyl)-N1-methyl-1-(5-methyl-2-thienyl)propane-1,2-diamine (1S,2R)-N1-(4-ethylcyclohexyl)-N…
| 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) | 3.61 | 6.85 | -41.91 | 3 | 2 | 1 | 31 | 295.516 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.61 | 8.94 | -33.02 | 3 | 2 | 1 | 30 | 295.516 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.61 | 6.5 | -1.31 | 2 | 2 | 0 | 29 | 294.508 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.61 | 8.87 | -123.28 | 4 | 2 | 2 | 32 | 296.524 | 5 | ↓ |
