In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2010 | 19 | 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) | -1.71 | 5.12 | -80.02 | 4 | 5 | 1 | 75 | 264.349 | 5 | ↓ |
Hi High (pH 8-9.5) | -1.71 | 2.51 | -44.72 | 2 | 5 | -1 | 73 | 262.333 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.71 | 2.89 | -34.76 | 3 | 5 | 0 | 74 | 263.341 | 5 | ↓ |