In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2007 | 32 | 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) | 3.94 | 2.11 | -12.26 | 0 | 7 | 0 | 81 | 448.862 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.94 | 2.33 | -38.37 | 1 | 7 | 1 | 83 | 449.87 | 4 | ↓ |