In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 34 | 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) | 2.42 | 5.15 | -46.24 | 1 | 8 | -1 | 102 | 465.526 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 7.42 | -56.48 | 2 | 8 | 0 | 104 | 466.534 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.42 | 6.65 | -48.47 | 3 | 8 | 1 | 101 | 467.542 | 7 | ↓ |