In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 16 | 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) | 0.89 | -0.41 | -45.1 | 0 | 5 | -1 | 75 | 225.13 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.43 | 2.24 | -10.5 | 1 | 5 | 0 | 72 | 226.138 | 1 | ↓ |