In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 4th, 2008 | 24 | 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) | 2.79 | 5.86 | -14.33 | 2 | 6 | 0 | 80 | 348.472 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.79 | 6.69 | -51.86 | 1 | 6 | -1 | 83 | 347.464 | 6 | ↓ |