In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 36 | 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) | 4.86 | 10.4 | -56.54 | 0 | 8 | -1 | 102 | 526.708 | 6 | ↓ |
Lo Low (pH 4.5-6) | 5.24 | 12.25 | -15.72 | 1 | 8 | 0 | 96 | 527.716 | 5 | ↓ |