In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2009 | 34 | Yes |
None
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) | 3.34 | 4.91 | -61.86 | 1 | 9 | -1 | 121 | 457.514 | 4 | ↓ |
Ref Reference (pH 7) | 3.16 | 7.79 | -55.37 | 1 | 9 | -1 | 118 | 457.514 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.89 | 6.79 | -18.19 | 2 | 9 | 0 | 118 | 458.522 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.70 | 9.62 | -16.23 | 2 | 9 | 0 | 115 | 458.522 | 4 | ↓ |