In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2011 | 19 | No |
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) | 1.12 | 6.05 | -42.62 | 2 | 6 | 1 | 83 | 264.305 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.12 | 4.61 | -13.47 | 1 | 6 | 0 | 78 | 263.297 | 4 | ↓ |