In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 14th, 2008 | 35 | 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) | 4.53 | 12.58 | -71.19 | 1 | 7 | 0 | 83 | 480.605 | 12 | ↓ |
Hi High (pH 8-9.5) | 4.53 | 10.25 | -56.42 | 0 | 7 | -1 | 82 | 479.597 | 12 | ↓ |