In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 36 | 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) | 3.29 | 13.38 | -52.02 | 2 | 8 | 1 | 79 | 483.596 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.29 | 11.09 | -12.18 | 1 | 8 | 0 | 78 | 482.588 | 5 | ↓ |