In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 16 | 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) | 1.89 | 4.56 | -44.58 | 3 | 2 | 1 | 31 | 219.352 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.89 | 6.59 | -36.25 | 3 | 2 | 1 | 30 | 219.352 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.89 | 6.91 | -110.87 | 4 | 2 | 2 | 32 | 220.36 | 3 | ↓ |