In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2008 | 34 | 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) | 4.19 | -1.91 | -19.38 | 1 | 7 | 0 | 81 | 449.514 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.19 | -1.81 | -51.09 | 2 | 7 | 1 | 83 | 450.522 | 4 | ↓ |