In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2006 | 12 | 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) | 2.12 | -1.05 | -9.45 | 1 | 2 | 0 | 29 | 201.678 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.12 | -2.01 | -48.89 | 1 | 2 | -1 | 29 | 200.67 | 2 | ↓ |