In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2009 | 29 | Yes |
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 | 3.66 | -53.85 | 1 | 8 | -1 | 112 | 386.391 | 3 | ↓ |
Ref Reference (pH 7) | 3.12 | 6.4 | -48.45 | 1 | 8 | -1 | 109 | 386.391 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.85 | 5.55 | -13.57 | 2 | 8 | 0 | 109 | 387.399 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.66 | 8.22 | -12.54 | 2 | 8 | 0 | 106 | 387.399 | 3 | ↓ |