In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 6th, 2009 | 14 | 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) | 0.64 | 1.52 | -71.32 | 1 | 5 | 0 | 57 | 194.238 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.64 | -0.83 | -49.01 | 0 | 5 | -1 | 55 | 193.23 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.19 | -1.34 | -11.73 | 1 | 5 | 0 | 52 | 194.238 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.64 | 0.76 | -45.51 | 2 | 5 | 1 | 54 | 195.246 | 1 | ↓ |