In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 2009 | 24 | 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) | 0.14 | 6.47 | -58.79 | 2 | 9 | -1 | 133 | 328.308 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.14 | 7.7 | -103.77 | 1 | 9 | -2 | 131 | 327.3 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.14 | 4.49 | -20.69 | 3 | 9 | 0 | 130 | 329.316 | 5 | ↓ |