In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 6th, 2011 | 15 | 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) | 3.52 | 6.67 | -2.62 | 0 | 1 | 0 | 3 | 221.731 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.52 | 9.22 | -36.05 | 1 | 1 | 1 | 4 | 222.739 | 3 | ↓ |