| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 21 | Yes |
Popular Name: N,N-diethyl-N'-[(3-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine N,N-diethyl-N'-[(3-phenyl-1H-pyr…
None
| 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) | 2.53 | 8.21 | -40.18 | 3 | 4 | 1 | 45 | 287.431 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 8.14 | -36.82 | 3 | 4 | 1 | 45 | 287.431 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 8.52 | -102.3 | 4 | 4 | 2 | 50 | 288.439 | 9 | ↓ |
