In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 14th, 2008 | 21 | Yes |
Popular Name: (4-methylpiperazin-1-yl)-[1-(2-thienylmethyl)-4-piperidyl]methanone (4-methylpiperazin-1-yl)-[1-(2-t…
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) | 1.66 | 6.96 | -45.09 | 1 | 4 | 1 | 28 | 308.471 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.66 | 4.61 | -9.03 | 0 | 4 | 0 | 27 | 307.463 | 3 | ↓ |