In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 36 | 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) | 6.81 | 13.57 | -11.99 | 2 | 5 | 0 | 69 | 483.587 | 5 | ↓ |
Hi High (pH 8-9.5) | 6.81 | 14.38 | -42.98 | 1 | 5 | -1 | 72 | 482.579 | 5 | ↓ |