In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 30 | 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) | 2.00 | 4.57 | -63.8 | 1 | 7 | -1 | 99 | 432.811 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.00 | 3.82 | -16.56 | 2 | 7 | 0 | 96 | 433.819 | 5 | ↓ |