In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 33 | 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) | 2.09 | 4.13 | -57.92 | 2 | 9 | -1 | 129 | 445.455 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.63 | 5.91 | -21.23 | 3 | 9 | 0 | 126 | 446.463 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.09 | 4.13 | -58.26 | 2 | 9 | -1 | 129 | 445.455 | 6 | ↓ |