In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 29th, 2009 | 22 | 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) | 1.46 | 5.39 | -50.01 | 1 | 6 | -1 | 99 | 334.354 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.92 | 4.27 | -97.69 | 0 | 6 | -2 | 102 | 333.346 | 1 | ↓ |