In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 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) | 2.56 | 7.58 | -34.28 | 1 | 2 | 1 | 8 | 219.352 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.56 | 5.11 | -2.78 | 0 | 2 | 0 | 6 | 218.344 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.56 | 7.44 | -35.83 | 1 | 2 | 1 | 8 | 219.352 | 4 | ↓ |