In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 35 | 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) | 3.29 | 6.02 | -61.35 | 2 | 8 | -1 | 119 | 482.553 | 11 | ↓ |
Lo Low (pH 4.5-6) | 3.29 | 5.27 | -18.12 | 3 | 8 | 0 | 117 | 483.561 | 11 | ↓ |