In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2009 | 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) | 6.73 | 14.61 | -21.87 | 1 | 6 | 0 | 75 | 478.662 | 12 | ↓ |
Hi High (pH 8-9.5) | 6.92 | 13.54 | -54.86 | 0 | 6 | -1 | 82 | 477.654 | 12 | ↓ |