In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 33 | 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) | 3.88 | 8.73 | -20.86 | 1 | 10 | 0 | 113 | 482.547 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.06 | 7.29 | -51.97 | 0 | 10 | -1 | 120 | 481.539 | 7 | ↓ |