In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 38 | 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) | 4.36 | 12.89 | -73.55 | 1 | 8 | 0 | 93 | 524.658 | 13 | ↓ |
Hi High (pH 8-9.5) | 4.36 | 10.68 | -58.56 | 0 | 8 | -1 | 91 | 523.65 | 13 | ↓ |