In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2009 | 20 | Yes |
Popular Name: 2-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]amino]ethanesulfonamide 2-[[(1S)-1-(3,4-dihydro-2H-1,5-b…
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) | 0.62 | 0.8 | -60.97 | 4 | 6 | 1 | 95 | 301.388 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.62 | -0.33 | -15.23 | 3 | 6 | 0 | 91 | 300.38 | 5 | ↓ |