In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 16 | Yes |
Popular Name: 3-(dimethylaminomethyl)-2,4-dihydro-1,5-benzodioxepin-3-ol 3-(dimethylaminomethyl)-2,4-dihy…
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) | 0.92 | 4.66 | -36.3 | 2 | 4 | 1 | 43 | 224.28 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.92 | 2.88 | -4.75 | 1 | 4 | 0 | 42 | 223.272 | 2 | ↓ |