In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 31 | 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) | 3.95 | 10.55 | -55.41 | 3 | 11 | -1 | 173 | 425.377 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.41 | 9.12 | -100.65 | 2 | 11 | -2 | 176 | 424.369 | 7 | ↓ |