In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 24th, 2011 | 16 | 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) | 3.19 | 4.16 | -42.55 | 3 | 3 | 1 | 50 | 223.34 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.19 | 3.74 | -5.36 | 2 | 3 | 0 | 48 | 222.332 | 8 | ↓ |