In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 29th, 2008 | 36 | 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) | 3.76 | 12.43 | -13.37 | 2 | 9 | 0 | 97 | 481.56 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.76 | 13.21 | -34.95 | 3 | 9 | 0 | 98 | 482.568 | 6 | ↓ |