In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2007 | 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) | 3.64 | 8.9 | -56.73 | 0 | 7 | -1 | 82 | 483.972 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.05 | -0.29 | -52.8 | 1 | 7 | 1 | 77 | 485.988 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.64 | 11.24 | -74.42 | 1 | 7 | 0 | 83 | 484.98 | 8 | ↓ |