| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 18 | Yes |
Popular Name: (1S,2S)-N2-methyl-N1-propyl-N2-(4-pyridylmethyl)cyclopentane-1,2-diamine (1S,2S)-N2-methyl-N1-propyl-N2-(…
| 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) | 2.00 | 7.76 | -122.48 | 3 | 3 | 2 | 34 | 249.402 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | 4.35 | -2.89 | 1 | 3 | 0 | 28 | 247.386 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | 6.64 | -36.55 | 2 | 3 | 1 | 29 | 248.394 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | 5.48 | -42.92 | 2 | 3 | 1 | 33 | 248.394 | 6 | ↓ |
