In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 31 | Yes |
Popular Name: N-benzyl-3-methyl-N-[3-[2-oxo-2-(3-pyridylmethylamino)ethyl]phenyl]butanamide N-benzyl-3-methyl-N-[3-[2-oxo-2-…
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 | 12.17 | -13.12 | 1 | 5 | 0 | 62 | 415.537 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.17 | 12.64 | -46.79 | 2 | 5 | 1 | 64 | 416.545 | 9 | ↓ |