In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 32 | No |
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) | 6.70 | 12.97 | -16.58 | 1 | 4 | 0 | 55 | 476.907 | 5 | ↓ |
Hi High (pH 8-9.5) | 6.76 | 11.54 | -53.28 | 0 | 4 | -1 | 61 | 475.899 | 5 | ↓ |