In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 38 | No |
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) | 2.76 | 6.54 | -60.9 | 1 | 10 | -1 | 127 | 528.578 | 15 | ↓ |
Lo Low (pH 4.5-6) | 2.76 | 5.78 | -17.73 | 2 | 10 | 0 | 124 | 529.586 | 15 | ↓ |