In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2010 | 29 | 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) | 2.58 | 8.29 | -45.9 | 1 | 7 | 1 | 69 | 396.515 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 5.97 | -13.09 | 0 | 7 | 0 | 68 | 395.507 | 9 | ↓ |