In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 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 | 5.85 | -7.29 | 2 | 3 | 0 | 41 | 277.751 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.77 | 6.61 | -44.91 | 1 | 3 | -1 | 44 | 276.743 | 5 | ↓ |