In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2009 | 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) | 3.15 | 6.29 | -13.62 | 2 | 7 | 0 | 93 | 376.482 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.33 | 4.61 | -44.65 | 1 | 7 | -1 | 100 | 375.474 | 7 | ↓ |