In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 18 | 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) | 0.65 | 6.9 | -103.55 | 4 | 4 | 2 | 48 | 250.39 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.65 | 5.11 | -45.5 | 3 | 4 | 1 | 47 | 249.382 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.65 | 7.25 | -162.23 | 5 | 4 | 3 | 49 | 251.398 | 5 | ↓ |