In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2008 | 30 | Yes |
Popular Name: N-[(1R,2R)-2-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]carbamoyl]butyl]benzamide N-[(1R,2R)-2-methyl-1-[[6-(4-met…
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) | 2.81 | 8.56 | -45.55 | 3 | 7 | 1 | 79 | 410.542 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.81 | 6.1 | -12.22 | 2 | 7 | 0 | 78 | 409.534 | 7 | ↓ |