In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2010 | 18 | 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) | 3.00 | 6.82 | -8.32 | 1 | 3 | 0 | 46 | 239.274 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.00 | 7.36 | -51.54 | 1 | 3 | -1 | 52 | 238.266 | 3 | ↓ |