In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 2009 | 35 | 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) | 4.60 | 12.2 | -22.32 | 1 | 7 | 0 | 84 | 486.597 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.79 | 11 | -61.86 | 0 | 7 | -1 | 91 | 485.589 | 9 | ↓ |