In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 27 | No |
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) | 2.88 | 4.84 | -13.71 | 2 | 5 | 0 | 101 | 359.408 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.88 | 4.66 | -57.27 | 3 | 5 | 1 | 102 | 360.416 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.88 | 7.4 | -57.04 | 3 | 5 | 1 | 102 | 360.416 | 1 | ↓ |