In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2008 | 18 | 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) | 2.58 | 5.15 | -44.41 | 3 | 4 | 1 | 55 | 251.35 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 3.75 | -8.66 | 2 | 4 | 0 | 50 | 250.342 | 7 | ↓ |