In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 39 | Yes |
Popular Name: 4-tert-butyl-N-[6-[4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]benzamide 4-tert-butyl-N-[6-[4-[(2,3,4-tri…
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) | 5.30 | 14.48 | -44.61 | 2 | 8 | 1 | 77 | 533.693 | 9 | ↓ |
Lo Low (pH 4.5-6) | 5.30 | 14.8 | -103.45 | 3 | 8 | 2 | 79 | 534.701 | 9 | ↓ |