| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2007 | 27 | No |
Popular Name: 2-(4-nitrophenyl)-4-(4-piperidylmethylaminomethylene)-5-propyl-pyrazol-3-one 2-(4-nitrophenyl)-4-(4-piperidyl…
| 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) | 2.97 | -3.23 | -48.36 | 2 | 8 | 1 | 107 | 372.449 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.97 | -1.7 | -113.53 | 3 | 8 | 2 | 109 | 373.457 | 7 | ↓ |
