In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 36 | Yes |
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) | 2.85 | 12.69 | -23.17 | 0 | 8 | 0 | 77 | 482.54 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.85 | 13.21 | -47.5 | 1 | 8 | 1 | 78 | 483.548 | 5 | ↓ |