| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2010 | 14 | Yes |
Popular Name: (3S)-N3-methyl-N3-[(1S,2S)-2-methylcyclohexyl]butane-1,3-diamine (3S)-N3-methyl-N3-[(1S,2S)-2-met…
| 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) | 1.89 | 5.28 | -106.23 | 4 | 2 | 2 | 32 | 200.37 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.89 | 4.89 | -29.37 | 3 | 2 | 1 | 30 | 199.362 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.89 | 3.66 | -41.55 | 3 | 2 | 1 | 31 | 199.362 | 4 | ↓ |
