In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2006 | 27 | 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) | 3.89 | 10.45 | -18.58 | 1 | 6 | 0 | 89 | 364.401 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.34 | 8.29 | -58.46 | 0 | 6 | -1 | 92 | 363.393 | 7 | ↓ |