In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2008 | 30 | 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) | 4.97 | 8.6 | -15.81 | 2 | 5 | 0 | 75 | 449.016 | 7 | ↓ |
Hi High (pH 8-9.5) | 5.15 | 5.94 | -38.48 | 1 | 5 | -1 | 81 | 448.008 | 7 | ↓ |