In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2009 | 40 | 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) | 0.35 | 6.55 | -72.41 | 4 | 15 | -1 | 227 | 584.572 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.35 | 7.56 | -121.01 | 3 | 15 | -2 | 230 | 583.564 | 7 | ↓ |