| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 33 | Yes |
Popular Name: 6-[1,1,2-trimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-8-yl]oxyhexanoic 6-[1,1,2-trimethyl-3-(4-sulfobut…
| 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) | -1.08 | 11.59 | -92.2 | 0 | 7 | -1 | 110 | 474.599 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.37 | 11.4 | -93.16 | 0 | 7 | -2 | 110 | 473.591 | 12 | ↓ |
| Lo Low (pH 4.5-6) | -1.08 | 9.61 | -57.25 | 1 | 7 | 0 | 107 | 475.607 | 12 | ↓ |
