| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 15 | Yes |
Popular Name: (3R)-N1,N3-dimethyl-N1-[(1R,3R)-3-methylcyclohexyl]butane-1,3-diamine (3R)-N1,N3-dimethyl-N1-[(1R,3R)-…
| 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) | 2.64 | 7.47 | -103.6 | 3 | 2 | 2 | 21 | 214.397 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.64 | 6.34 | -30.66 | 2 | 2 | 1 | 16 | 213.389 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.64 | 5.17 | -35.22 | 2 | 2 | 1 | 20 | 213.389 | 5 | ↓ |
