In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 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) | 5.95 | 12.66 | -15.59 | 2 | 6 | 0 | 84 | 491.016 | 8 | ↓ |
Hi High (pH 8-9.5) | 6.14 | 10.78 | -43.82 | 1 | 6 | -1 | 90 | 490.008 | 8 | ↓ |