In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 18 | 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) | 2.18 | 5.5 | -35.81 | 4 | 3 | 1 | 55 | 260.283 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.18 | 6.94 | -3.75 | 3 | 3 | 0 | 53 | 259.275 | 6 | ↓ |