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) | 3.62 | 8.43 | -11.53 | 1 | 7 | 0 | 80 | 431.901 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.05 | 8.64 | -36.59 | 2 | 7 | 1 | 80 | 432.909 | 5 | ↓ |