In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2006 | 31 | 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) | 4.38 | 8.37 | -50.65 | 3 | 4 | 1 | 63 | 426.621 | 0 | ↓ |
Hi High (pH 8-9.5) | 4.38 | 7.09 | -8.93 | 2 | 4 | 0 | 59 | 425.613 | 0 | ↓ |