In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 25th, 2008 | 35 | 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) | 2.40 | 4.57 | -60.26 | 3 | 9 | 1 | 106 | 485.557 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 5.19 | -33.25 | 2 | 9 | 0 | 109 | 484.549 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 2.87 | -46.15 | 1 | 9 | -1 | 108 | 483.541 | 8 | ↓ |