In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2008 | 35 | 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) | 3.45 | 11.12 | -23.33 | 3 | 6 | 0 | 99 | 478.474 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.63 | 9.19 | -77.13 | 2 | 6 | -1 | 106 | 477.466 | 2 | ↓ |