In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 34 | 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) | 5.74 | 10.41 | -12.1 | 2 | 7 | 0 | 88 | 483.996 | 10 | ↓ |
Hi High (pH 8-9.5) | 5.74 | 11.41 | -40.32 | 1 | 7 | -1 | 91 | 482.988 | 10 | ↓ |