In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 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) | -0.56 | 0.85 | -51.68 | 4 | 5 | 1 | 73 | 195.246 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.56 | 0.47 | -9.53 | 3 | 5 | 0 | 71 | 194.238 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.56 | 1.38 | -90.14 | 5 | 5 | 2 | 74 | 196.254 | 3 | ↓ |