| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2010 | 15 | Yes |
Popular Name: (3S)-N3-methyl-N3-[(1R,2S)-2-methylcyclohexyl]pentane-1,3-diamine (3S)-N3-methyl-N3-[(1R,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) | 2.43 | 5.69 | -106.92 | 4 | 2 | 2 | 32 | 214.397 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.43 | 5.3 | -28.08 | 3 | 2 | 1 | 30 | 213.389 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.43 | 4.21 | -44.31 | 3 | 2 | 1 | 31 | 213.389 | 5 | ↓ |
