In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 29 | 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) | 3.31 | 7.45 | -60.65 | 1 | 5 | -1 | 81 | 394.422 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.31 | 6.7 | -14.45 | 2 | 5 | 0 | 78 | 395.43 | 7 | ↓ |