In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 32 | 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) | 5.65 | 9.88 | -41.31 | 3 | 7 | 1 | 82 | 509.464 | 4 | ↓ |
Hi High (pH 8-9.5) | 5.65 | 10.51 | -43.33 | 2 | 7 | 0 | 85 | 508.456 | 4 | ↓ |