In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 14 | 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) | 0.16 | 3.1 | -85.51 | 5 | 4 | 2 | 62 | 195.266 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.03 | 0.8 | -6.8 | 3 | 4 | 0 | 62 | 193.25 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.16 | 0.63 | -29.71 | 4 | 4 | 1 | 61 | 194.258 | 4 | ↓ |