| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 28 | Yes |
Popular Name: 4-[1-[(methylBLAHyl)methyl]-4-piperidyl]benzonitrile 4-[1-[(methylBLAHyl)methyl]-4-pi…
| 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) | 4.54 | 14.01 | -54.65 | 1 | 4 | 1 | 46 | 371.508 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.54 | 11.79 | -13.91 | 0 | 4 | 0 | 45 | 370.5 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.54 | 12.21 | -32.52 | 1 | 4 | 1 | 46 | 371.508 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.54 | 14.43 | -123.26 | 2 | 4 | 2 | 47 | 372.516 | 3 | ↓ |
