In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 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) | -0.27 | 5.39 | -30.01 | 1 | 4 | 0 | 48 | 212.293 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.27 | 5.31 | -58.99 | 1 | 4 | 0 | 48 | 212.293 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.27 | 3.34 | -38.58 | 2 | 4 | 1 | 45 | 213.301 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.27 | 7.57 | -83.82 | 2 | 4 | 1 | 49 | 213.301 | 3 | ↓ |