In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 29 | 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) | 2.94 | 7.04 | -141.9 | 1 | 8 | -2 | 128 | 410.274 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 5.89 | -49.06 | 2 | 8 | -1 | 125 | 411.282 | 2 | ↓ |