In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 36 | No |
None
None
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) | 4.72 | 11.8 | -53.22 | 2 | 7 | 1 | 77 | 487.576 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.72 | 9.56 | -12.09 | 1 | 7 | 0 | 75 | 486.568 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.72 | 10.14 | -43.67 | 0 | 7 | -1 | 78 | 485.56 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.72 | 12.36 | -34.34 | 1 | 7 | 0 | 79 | 486.568 | 6 | ↓ |