In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2008 | 35 | 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) | 4.41 | 12.24 | -20.74 | 0 | 5 | 0 | 44 | 495.595 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.41 | 13.97 | -64.37 | 1 | 5 | 1 | 45 | 496.603 | 5 | ↓ |