In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 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) | 4.73 | 8.92 | -17.93 | 2 | 6 | 0 | 90 | 490.606 | 2 | ↓ |
Hi High (pH 8-9.5) | 5.19 | 6.9 | -57.84 | 1 | 6 | -1 | 94 | 489.598 | 2 | ↓ |