In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 29 | 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) | 2.93 | 12.38 | -32.54 | 1 | 5 | 1 | 51 | 391.539 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.93 | 13.24 | -92.2 | 2 | 5 | 2 | 52 | 392.547 | 3 | ↓ |