In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 35 | 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) | 4.44 | 16.78 | -36.25 | 1 | 6 | 1 | 46 | 474.673 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.44 | 14.54 | -9.99 | 0 | 6 | 0 | 45 | 473.665 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.44 | 17.17 | -102.35 | 2 | 6 | 2 | 47 | 475.681 | 9 | ↓ |