In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 18th, 2009 | 28 | 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) | 2.29 | 4.37 | -55.63 | 3 | 6 | -1 | 110 | 389.468 | 11 | ↓ |
Lo Low (pH 4.5-6) | 2.29 | 3.25 | -17.52 | 4 | 6 | 0 | 107 | 390.476 | 11 | ↓ |