In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 26 | Yes |
Popular Name: N-[2-(2-chlorophenoxy)ethyl]-2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide N-[2-(2-chlorophenoxy)ethyl]-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) | 2.57 | 7.44 | -38.04 | 3 | 6 | 1 | 71 | 375.88 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.57 | 6.19 | -11.9 | 2 | 6 | 0 | 66 | 374.872 | 6 | ↓ |