In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2009 | 20 | 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) | -0.84 | 2.2 | -54.27 | 3 | 6 | 1 | 69 | 283.396 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.84 | 3.57 | -103.35 | 4 | 6 | 2 | 74 | 284.404 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.84 | 0.81 | -12.44 | 2 | 6 | 0 | 65 | 282.388 | 5 | ↓ |