In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 24th, 2011 | 17 | 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) | 2.88 | 3.72 | -44.17 | 3 | 3 | 1 | 40 | 243.415 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.88 | 5.64 | -120.31 | 4 | 3 | 2 | 41 | 244.423 | 8 | ↓ |