In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 20 | Yes |
Popular Name: 2-cyano-N-methyl-2-propyl-N-(4-pyridylmethyl)pentanamide 2-cyano-N-methyl-2-propyl-N-(4-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) | 2.50 | 7.42 | -7.72 | 0 | 4 | 0 | 57 | 273.38 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.50 | 7.88 | -39.34 | 1 | 4 | 1 | 58 | 274.388 | 7 | ↓ |