In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 16 | No |
Popular Name: 3-(aziridin-1-ylmethyl)-2,4-dihydro-1,5-benzodioxepin-3-ol 3-(aziridin-1-ylmethyl)-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) | 0.79 | 4.01 | -37.74 | 2 | 4 | 1 | 46 | 222.264 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.79 | 0.82 | -7.16 | 1 | 4 | 0 | 42 | 221.256 | 2 | ↓ |