In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2010 | 21 | 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) | 2.04 | 3.12 | -9.39 | 1 | 5 | 0 | 54 | 290.363 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.04 | 5.27 | -47.45 | 2 | 5 | 1 | 55 | 291.371 | 2 | ↓ |