In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 32 | 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) | 4.10 | 9.65 | -17.24 | 2 | 8 | 0 | 115 | 426.432 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.10 | 10.42 | -54.46 | 1 | 8 | -1 | 118 | 425.424 | 5 | ↓ |