In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 1st, 2011 | 23 | Yes |
Popular Name: 6-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide 6-ethoxy-N-[3-(4-ethylpiperazin-…
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) | 1.24 | 3.45 | -40.47 | 2 | 6 | 1 | 59 | 321.445 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.24 | 1.16 | -8.44 | 1 | 6 | 0 | 58 | 320.437 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.24 | 3.45 | -45.21 | 2 | 6 | 1 | 59 | 321.445 | 8 | ↓ |