In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 21 | Yes |
Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-pyrrolidin-1-yl-pyridine-3-carboxamide N-[(5-chloro-2-thienyl)methyl]-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) | 2.79 | 8.12 | -9.41 | 1 | 4 | 0 | 45 | 321.833 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.79 | 8.59 | -35.78 | 2 | 4 | 1 | 46 | 322.841 | 4 | ↓ |