| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 20 | Yes |
Popular Name: (1R)-N'-[(1S)-1-cyclopropylethyl]-1-(4-isobutylphenyl)-N'-methyl-ethane-1,2-diamine (1R)-N'-[(1S)-1-cyclopropylethyl…
| 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) | 1.96 | 10.09 | -30.98 | 3 | 2 | 1 | 30 | 275.46 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 9.73 | -119.83 | 4 | 2 | 2 | 32 | 276.468 | 7 | ↓ |
Popular Name: (1S)-2-[(2R)-2-methyl-1-piperidyl]-1-(p-tolyl)ethanamine (1S)-2-[(2R)-2-methyl-1-piperidy…
| 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) | 1.14 | 7.39 | -34.49 | 3 | 2 | 1 | 30 | 233.379 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 7.74 | -119.69 | 4 | 2 | 2 | 32 | 234.387 | 3 | ↓ |
