In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 17 | No |
Popular Name: N'-(cyanomethyl)-N-methyl-N-(2-pyridylmethyl)oxamide N'-(cyanomethyl)-N-methyl-N-(2-p…
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) | -1.22 | 2.03 | -9.31 | 1 | 6 | 0 | 86 | 232.243 | 4 | ↓ |
Hi High (pH 8-9.5) | -1.03 | 2.03 | -42.17 | 0 | 6 | -1 | 92 | 231.235 | 4 | ↓ |
Lo Low (pH 4.5-6) | -1.22 | 2.53 | -36.05 | 2 | 6 | 1 | 87 | 233.251 | 4 | ↓ |