In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 15th, 2005 | 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) | 0.11 | 4.64 | -21.9 | 2 | 9 | 0 | 119 | 496.927 | 9 | ↓ |
Lo Low (pH 4.5-6) | 0.11 | 4.91 | -53.48 | 3 | 9 | 1 | 120 | 497.935 | 9 | ↓ |
Lo Low (pH 4.5-6) | 0.11 | 4.82 | -52.67 | 3 | 9 | 1 | 120 | 497.935 | 9 | ↓ |
Lo Low (pH 4.5-6) | 0.11 | 5.09 | -93.2 | 4 | 9 | 2 | 121 | 498.943 | 9 | ↓ |