In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2008 | 26 | 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) | 2.86 | 8.66 | -39.59 | 1 | 5 | 1 | 35 | 357.474 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 8.73 | -42.36 | 1 | 5 | 1 | 35 | 357.474 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 6.34 | -7.79 | 0 | 5 | 0 | 34 | 356.466 | 7 | ↓ |