In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2011 | 10 | 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) | 0.81 | 2.37 | -4.03 | 1 | 2 | 0 | 29 | 179.31 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.81 | 2.91 | -34.08 | 1 | 2 | -1 | 29 | 178.302 | 4 | ↓ |