In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2006 | 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) | 2.32 | 5.82 | -17.08 | 2 | 8 | 0 | 100 | 377.47 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.32 | 5.62 | -54.59 | 1 | 8 | -1 | 99 | 376.462 | 9 | ↓ |