In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2009 | 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) | 4.21 | 9.34 | -12.09 | 1 | 6 | 0 | 71 | 431.945 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.54 | 10.16 | -37.7 | 2 | 6 | 1 | 70 | 432.953 | 7 | ↓ |