In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | 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) | 2.19 | 7.21 | -43.54 | 1 | 6 | -1 | 96 | 343.153 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.19 | 5.23 | -9.71 | 2 | 6 | 0 | 93 | 344.161 | 7 | ↓ |