In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 16th, 2009 | 34 | 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) | 4.39 | 7.82 | -94.8 | 6 | 6 | 2 | 92 | 507.458 | 14 | ↓ |
Hi High (pH 8-9.5) | 4.39 | 6.32 | -51.46 | 5 | 6 | 1 | 88 | 506.45 | 14 | ↓ |