| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 18 | Yes |
Popular Name: (2S)-N1,N1-diethyl-N2-[(1R)-1-(1-ethylpyrazol-4-yl)ethyl]propane-1,2-diamine (2S)-N1,N1-diethyl-N2-[(1R)-1-(1…
| 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) | 1.92 | 6.92 | -32.38 | 2 | 4 | 1 | 34 | 253.414 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 5.45 | -34.26 | 2 | 4 | 1 | 38 | 253.414 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 7.71 | -105.63 | 3 | 4 | 2 | 39 | 254.422 | 8 | ↓ |
