In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 22 | No |
Popular Name: N,N'-bis[(3R)-1,1-dioxothiolan-3-yl]hexane-1,6-diamine N,N'-bis[(3R)-1,1-dioxothiolan-3…
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) | 0.47 | 1.08 | -135.65 | 4 | 6 | 2 | 101 | 354.538 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.47 | -0.12 | -70.06 | 3 | 6 | 1 | 97 | 353.53 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.47 | -1.29 | -20.69 | 2 | 6 | 0 | 92 | 352.522 | 9 | ↓ |