In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 26 | 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) | 0.97 | 3.71 | -41.36 | 3 | 8 | 1 | 86 | 368.502 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.97 | 1.97 | -13.74 | 2 | 8 | 0 | 85 | 367.494 | 6 | ↓ |