In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2008 | 26 | 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) | 3.05 | 4.11 | -44.55 | 0 | 6 | -1 | 68 | 370.816 | 3 | ↓ |
Ref Reference (pH 7) | 3.05 | 4.19 | -37.97 | 0 | 6 | -1 | 68 | 370.816 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.05 | 4.96 | -59.36 | 1 | 6 | 0 | 69 | 371.824 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.05 | 4.87 | -50.01 | 1 | 6 | 0 | 69 | 371.824 | 3 | ↓ |