In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2009 | 23 | 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) | 2.43 | 7.74 | -40.85 | 2 | 5 | 1 | 56 | 314.409 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.43 | 5.26 | -10.59 | 1 | 5 | 0 | 54 | 313.401 | 8 | ↓ |