In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 16 | No |
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) | 0.40 | 2.32 | -51.33 | 0 | 5 | -1 | 78 | 248.324 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.40 | 4.42 | -80.22 | 1 | 5 | 0 | 79 | 249.332 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.40 | 2.45 | -58.75 | 2 | 5 | 1 | 76 | 250.34 | 6 | ↓ |