In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 33 | 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) | 2.18 | 3.88 | -63.42 | 1 | 8 | -1 | 102 | 451.499 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.18 | 6.16 | -74.44 | 2 | 8 | 0 | 104 | 452.507 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.18 | 5.41 | -55.26 | 3 | 8 | 1 | 101 | 453.515 | 8 | ↓ |