In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 15 | 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) | -0.37 | 2.64 | -107.14 | 5 | 4 | 2 | 60 | 208.309 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.37 | 2.3 | -37.91 | 4 | 4 | 1 | 59 | 207.301 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.37 | 1.32 | -46.09 | 4 | 4 | 1 | 56 | 207.301 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.37 | 3.09 | -185.98 | 6 | 4 | 3 | 62 | 209.317 | 2 | ↓ |