In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 10th, 2009 | 34 | No |
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) | 4.04 | 12.04 | -42.09 | 1 | 9 | 1 | 96 | 469.493 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.04 | 12.71 | -94.13 | 2 | 9 | 2 | 97 | 470.501 | 7 | ↓ |