In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 32 | Yes |
Popular Name: 3-methyl-N-(o-tolylmethyl)-N-[4-[2-oxo-2-(4-pyridylmethylamino)ethyl]phenyl]butanamide 3-methyl-N-(o-tolylmethyl)-N-[4-…
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) | 3.54 | 12.71 | -14.99 | 1 | 5 | 0 | 62 | 429.564 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.54 | 13.16 | -47.31 | 2 | 5 | 1 | 64 | 430.572 | 9 | ↓ |