| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 16 | Yes |
Popular Name: (3S)-N3-ethyl-N1-methyl-N1-[(1R,3S)-3-methylcyclohexyl]butane-1,3-diamine (3S)-N3-ethyl-N1-methyl-N1-[(1R,…
| 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) | 3.02 | 8.52 | -103.15 | 3 | 2 | 2 | 21 | 228.424 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 7.49 | -30.81 | 2 | 2 | 1 | 16 | 227.416 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 6.25 | -34.06 | 2 | 2 | 1 | 20 | 227.416 | 6 | ↓ |
