In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 23rd, 2009 | 54 | 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) | 8.97 | 26.72 | -78.49 | 2 | 8 | 2 | 68 | 753.17 | 31 | ↓ |
Hi High (pH 8-9.5) | 8.97 | 24.49 | -46.03 | 1 | 8 | 1 | 67 | 752.162 | 31 | ↓ |