In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 13th, 2009 | 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) | 0.05 | 0.88 | -9.79 | 1 | 4 | 0 | 49 | 142.158 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.24 | -0.92 | -41.03 | 0 | 4 | -1 | 56 | 141.15 | 2 | ↓ |