In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2005 | 32 | 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) | 4.64 | -3.93 | -18.27 | 3 | 7 | 0 | 99 | 462.556 | 5 | ↓ |
Lo Low (pH 4.5-6) | 5.57 | -3.82 | -45.19 | 4 | 7 | 1 | 104 | 463.564 | 4 | ↓ |