In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2009 | 36 | 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) | 0.28 | 2.96 | -61.37 | 5 | 13 | -1 | 208 | 532.536 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.28 | 3.91 | -145.14 | 4 | 13 | -2 | 210 | 531.528 | 8 | ↓ |