In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 9th, 2006 | 17 | 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) | 2.38 | 0.77 | -6.31 | 1 | 3 | 0 | 54 | 228.247 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.50 | 0.54 | -9.27 | 0 | 3 | 0 | 51 | 228.247 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.38 | 0.75 | -23.62 | 1 | 3 | 0 | 54 | 228.247 | 2 | ↓ |