In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2010 | 40 | 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) | 3.56 | 8.84 | -70.92 | 5 | 8 | 1 | 115 | 565.76 | 13 | ↓ |
Hi High (pH 8-9.5) | 3.56 | 7.49 | -24.07 | 4 | 8 | 0 | 111 | 564.752 | 13 | ↓ |