In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 2010 | 16 | 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) | 3.64 | 8.01 | -26.19 | 2 | 2 | 1 | 26 | 233.36 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.64 | 7.77 | -4.79 | 1 | 2 | 0 | 25 | 232.352 | 2 | ↓ |