In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2008 | 22 | Yes |
Popular Name: (4-methylpiperazin-1-yl)-[4-(piperazin-1-ylmethyl)phenyl]methanone (4-methylpiperazin-1-yl)-[4-(pip…
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) | -0.10 | 5.25 | -95.07 | 3 | 5 | 2 | 45 | 304.438 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.10 | 1.44 | -8.32 | 1 | 5 | 0 | 39 | 302.422 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.10 | 2.85 | -48.32 | 2 | 5 | 1 | 43 | 303.43 | 3 | ↓ |