In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 9th, 2004 | 36 | No |
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) | 2.44 | 4.96 | -41.38 | 5 | 14 | 1 | 180 | 500.54 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.44 | 2.6 | -16.67 | 4 | 14 | 0 | 179 | 499.532 | 9 | ↓ |