In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 33 | 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) | 2.14 | 9.77 | -17.23 | 1 | 7 | 0 | 83 | 442.519 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.14 | 10.13 | -43.41 | 2 | 7 | 1 | 84 | 443.527 | 7 | ↓ |