In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2005 | 39 | 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) | 3.09 | 10.1 | -24.47 | 1 | 9 | 0 | 95 | 527.625 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.09 | 10.45 | -51.72 | 2 | 9 | 1 | 96 | 528.633 | 8 | ↓ |