In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 33 | No |
None
None
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) | 6.86 | 14.63 | -41.52 | 2 | 4 | 1 | 55 | 442.579 | 8 | ↓ |
Mid Mid (pH 6-8) | 6.86 | 15.21 | -28.63 | 1 | 4 | 0 | 58 | 441.571 | 8 | ↓ |