In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 27 | No |
None
None
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) | 3.31 | 7.65 | -8.94 | 0 | 5 | 0 | 46 | 362.429 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.31 | 10.61 | -43.33 | 1 | 5 | 1 | 47 | 363.437 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.31 | 11.37 | -110.97 | 2 | 5 | 0 | 48 | 364.445 | 3 | ↓ |