| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (1R,2S)-N1-methyl-N1-[(1R,2S)-2-methylcyclohexyl]-1-(3-methyl-2-thienyl)propane-1,2-diamine (1R,2S)-N1-methyl-N1-[(1R,2S)-2-…
| 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) | 3.55 | 6.14 | -37.26 | 3 | 2 | 1 | 31 | 281.489 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.55 | 7.48 | -29.64 | 3 | 2 | 1 | 30 | 281.489 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.55 | 5.9 | -0.93 | 2 | 2 | 0 | 29 | 280.481 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.55 | 7.79 | -111.02 | 4 | 2 | 2 | 32 | 282.497 | 4 | ↓ |
