In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2009 | 36 | 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) | 2.81 | 7.92 | -63.65 | 0 | 9 | -1 | 105 | 497.568 | 11 | ↓ |
Mid Mid (pH 6-8) | 2.81 | 10.26 | -83.09 | 1 | 9 | 0 | 106 | 498.576 | 11 | ↓ |
Lo Low (pH 4.5-6) | 2.81 | 9.3 | -62.04 | 2 | 9 | 1 | 103 | 499.584 | 11 | ↓ |