In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2008 | 20 | 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) | 3.77 | 7.86 | -52.66 | 3 | 3 | 1 | 46 | 289.786 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.77 | 6.47 | -13.05 | 2 | 3 | 0 | 41 | 288.778 | 5 | ↓ |