In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2005 | 29 | 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) | 1.44 | 0.92 | -21.11 | 6 | 11 | 0 | 164 | 419.829 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.61 | -10.11 | -54.61 | 7 | 11 | 1 | 168 | 420.837 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.61 | -10.23 | -48.01 | 7 | 11 | 1 | 168 | 420.837 | 4 | ↓ |