In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 18 | Yes |
Popular Name: [5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-imidazol-2-yl]methanamine [5-(3,4-dihydro-2H-1,5-benzodiox…
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) | 0.67 | 2.78 | -53.95 | 4 | 5 | 1 | 75 | 246.29 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.67 | 2.35 | -8.99 | 3 | 5 | 0 | 73 | 245.282 | 2 | ↓ |