In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 26 | Yes |
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) | 0.69 | 1.88 | -13.16 | 4 | 9 | 0 | 128 | 377.788 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.87 | -0.93 | -56.18 | 3 | 9 | -1 | 135 | 376.78 | 4 | ↓ |