In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 16 | 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) | 1.76 | 8.45 | -33.65 | 1 | 3 | 1 | 25 | 225.356 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.76 | 6.59 | -3.78 | 0 | 3 | 0 | 24 | 224.348 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.76 | 8.47 | -6.45 | 2 | 3 | 0 | 26 | 226.364 | 4 | ↓ |