In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 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) | 0.44 | 4.67 | -34.41 | 4 | 4 | 1 | 68 | 219.312 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.44 | 5.67 | -6.67 | 3 | 4 | 0 | 66 | 218.304 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.44 | 5.08 | -88.02 | 5 | 4 | 2 | 69 | 220.32 | 2 | ↓ |