In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 2007 | 28 | 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) | 1.76 | 0.7 | -15.2 | 0 | 6 | 0 | 76 | 369.38 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.76 | 0.81 | -47.44 | 1 | 6 | 1 | 77 | 370.388 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.76 | 0.81 | -42.27 | 1 | 6 | 1 | 77 | 370.388 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.76 | 0.92 | -90.56 | 2 | 6 | 2 | 78 | 371.396 | 3 | ↓ |