In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 9th, 2012 | 27 | 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) | 6.50 | 13.41 | -50.39 | 0 | 3 | -1 | 49 | 369.525 | 4 | ↓ |
Lo Low (pH 4.5-6) | 6.50 | 11.43 | -6.09 | 1 | 3 | 0 | 47 | 370.533 | 4 | ↓ |