In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | 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) | 2.09 | 3.87 | -41.59 | 4 | 5 | 1 | 80 | 282.408 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.09 | 2.7 | -16.1 | 3 | 5 | 0 | 75 | 281.4 | 5 | ↓ |