In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 19 | 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 | 7.74 | -42.35 | 3 | 3 | 1 | 46 | 263.405 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.77 | 6.37 | -7.33 | 2 | 3 | 0 | 41 | 262.397 | 6 | ↓ |