In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2009 | 30 | 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) | 3.82 | 7.41 | -12.52 | 1 | 6 | 0 | 69 | 417.387 | 5 | ↓ |
Ref Reference (pH 7) | 3.63 | 10.09 | -12.82 | 1 | 6 | 0 | 65 | 417.387 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.63 | 10.55 | -41.58 | 2 | 6 | 1 | 67 | 418.395 | 5 | ↓ |