In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 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) | 0.17 | -0.22 | -44.17 | 3 | 4 | 1 | 49 | 226.222 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.17 | -1.64 | -7.96 | 2 | 4 | 0 | 44 | 225.214 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.17 | 0.61 | -38.01 | 3 | 4 | 1 | 46 | 226.222 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.17 | 2.01 | -116.92 | 4 | 4 | 2 | 50 | 227.23 | 4 | ↓ |