In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 33 | No |
Popular Name: 4-methyl-N-(m-tolyl)-N-[1-[(4-nitrophenyl)methyl]-4-piperidyl]benzamide 4-methyl-N-(m-tolyl)-N-[1-[(4-ni…
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) | 5.72 | 16.38 | -55.2 | 1 | 6 | 1 | 71 | 444.555 | 6 | ↓ |
Hi High (pH 8-9.5) | 5.72 | 14.14 | -12.78 | 0 | 6 | 0 | 69 | 443.547 | 6 | ↓ |