In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2005 | 41 | 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) | 3.33 | 10.5 | -52.73 | 1 | 13 | -1 | 162 | 561.575 | 11 | ↓ |
Lo Low (pH 4.5-6) | 3.33 | 10.58 | -20.24 | 2 | 13 | 0 | 164 | 562.583 | 11 | ↓ |