In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2008 | 19 | Yes |
Popular Name: 3-methyl-1-[4-(2-pyridylmethyl)piperazin-1-yl]butan-1-one 3-methyl-1-[4-(2-pyridylmethyl)p…
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) | 1.44 | 5.25 | -9.42 | 0 | 4 | 0 | 36 | 261.369 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.44 | 5.63 | -39.47 | 1 | 4 | 1 | 38 | 262.377 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.44 | 7.92 | -118.93 | 2 | 4 | 2 | 39 | 263.385 | 4 | ↓ |