In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 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) | 2.35 | 7.54 | -32.88 | 1 | 2 | 1 | 8 | 219.352 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.35 | 5.56 | -2.24 | 0 | 2 | 0 | 6 | 218.344 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.35 | 9.49 | -107.49 | 2 | 2 | 2 | 9 | 220.36 | 2 | ↓ |