In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2009 | 36 | Yes |
Popular Name: methyl-N-(4-methylcyclohexyl)-oxo-[3-(4-propylpiperazin-1-yl)propyl]BLAHcarboxamide methyl-N-(4-methylcyclohexyl)-ox…
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) | 3.17 | 10.62 | -42.64 | 2 | 8 | 1 | 75 | 498.692 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.17 | 8.24 | -10.68 | 1 | 8 | 0 | 74 | 497.684 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.17 | 10.57 | -49.12 | 2 | 8 | 1 | 75 | 498.692 | 8 | ↓ |