In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 15 | 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) | 1.89 | 5.07 | -17.98 | 1 | 3 | 0 | 42 | 223.659 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.19 | 3.63 | -42.42 | 0 | 3 | -1 | 45 | 222.651 | 2 | ↓ |