In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 33 | 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) | 3.09 | 6.68 | -65.72 | 1 | 8 | -1 | 112 | 456.515 | 13 | ↓ |
Lo Low (pH 4.5-6) | 3.09 | 5.92 | -16.17 | 2 | 8 | 0 | 109 | 457.523 | 13 | ↓ |