In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 10th, 2011 | 30 | Yes |
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) | 4.43 | 10.46 | -55.3 | 2 | 5 | 1 | 67 | 411.566 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.43 | 8.14 | -13 | 1 | 5 | 0 | 66 | 410.558 | 11 | ↓ |