In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 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) | 2.50 | 5.12 | -60.58 | 1 | 9 | -1 | 112 | 495.552 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.50 | 7.39 | -76.8 | 2 | 9 | 0 | 113 | 496.56 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.50 | 6.63 | -60.48 | 3 | 9 | 1 | 110 | 497.568 | 10 | ↓ |