In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2009 | 33 | 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) | 4.63 | 15.66 | -53.33 | 1 | 5 | 1 | 45 | 474.666 | 12 | ↓ |
Hi High (pH 8-9.5) | 4.63 | 13.15 | -12.81 | 0 | 5 | 0 | 44 | 473.658 | 12 | ↓ |