In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 20 | Yes |
Popular Name: [4-(4-piperidyl)piperazin-1-yl]-(3-pyridyl)methanone [4-(4-piperidyl)piperazin-1-yl]-…
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) | -0.62 | 2.76 | -50.79 | 2 | 5 | 1 | 53 | 275.376 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.62 | 3.55 | -49.9 | 2 | 5 | 1 | 50 | 275.376 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.62 | 4.97 | -120.69 | 3 | 5 | 2 | 54 | 276.384 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.62 | 1.33 | -9.78 | 1 | 5 | 0 | 48 | 274.368 | 2 | ↓ |