In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 18 | 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) | -0.19 | 3.57 | -99.66 | 4 | 4 | 2 | 48 | 250.39 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.19 | 1.31 | -45.24 | 3 | 4 | 1 | 47 | 249.382 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.19 | 3.57 | -86.3 | 4 | 4 | 2 | 48 | 250.39 | 6 | ↓ |
Lo Low (pH 4.5-6) | -0.19 | 4.29 | -157.24 | 5 | 4 | 3 | 49 | 251.398 | 6 | ↓ |