In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 21st, 2009 | 34 | 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) | 2.37 | 11.61 | -57.89 | 1 | 10 | 1 | 103 | 480.471 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.37 | 9.39 | -15.76 | 0 | 10 | 0 | 102 | 479.463 | 6 | ↓ |