In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2008 | 30 | 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) | 2.83 | 6.77 | -62.01 | 0 | 7 | -1 | 88 | 410.446 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.24 | 7.47 | -11.63 | 0 | 7 | 0 | 82 | 411.454 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.83 | 7.1 | -14.04 | 1 | 7 | 0 | 85 | 411.454 | 9 | ↓ |