In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2009 | 15 | Yes |
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) | 3.02 | 5.71 | -36.12 | 2 | 2 | 1 | 26 | 226.727 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.02 | 4.45 | -3.08 | 1 | 2 | 0 | 21 | 225.719 | 2 | ↓ |