In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2008 | 15 | 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) | 1.77 | 4.97 | -40.81 | 2 | 2 | 1 | 20 | 205.325 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.77 | 6.97 | -112.98 | 3 | 2 | 2 | 21 | 206.333 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.77 | 5.56 | -29.47 | 2 | 2 | 1 | 16 | 205.325 | 3 | ↓ |