In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 30 | Yes |
Popular Name: N-[[6-(4-ethylpiperazin-1-yl)-3-pyridyl]methyl]-3,4,5-trimethoxy-benzamide N-[[6-(4-ethylpiperazin-1-yl)-3-…
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) | 1.64 | 8.12 | -47.7 | 2 | 8 | 1 | 77 | 415.514 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.64 | 5.89 | -12.1 | 1 | 8 | 0 | 76 | 414.506 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 8.43 | -109.27 | 3 | 8 | 2 | 79 | 416.522 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 6.21 | -43.75 | 2 | 8 | 1 | 77 | 415.514 | 8 | ↓ |