In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2009 | 24 | No |
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) | 2.61 | 7.35 | -7.6 | 0 | 5 | 0 | 45 | 347.484 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.61 | 8.33 | -41.27 | 1 | 5 | 1 | 46 | 348.492 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.61 | 9.62 | -38.44 | 1 | 5 | 1 | 46 | 348.492 | 5 | ↓ |
Lo Low (pH 4.5-6) | -2.00 | 10.23 | -89.09 | 2 | 5 | 2 | 46 | 349.5 | 6 | ↓ |