In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 21 | Yes |
Popular Name: (2-amino-4,5-dimethoxy-phenyl)-(4-methyl-1,4-diazepan-1-yl)methanone (2-amino-4,5-dimethoxy-phenyl)-(…
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) | 0.12 | 4.87 | -46.3 | 3 | 6 | 1 | 69 | 294.375 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.12 | 2.87 | -9.71 | 2 | 6 | 0 | 68 | 293.367 | 3 | ↓ |