In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 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) | 0.57 | 8.58 | -93.62 | 2 | 9 | 0 | 117 | 415.475 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.57 | 7.3 | -60.33 | 1 | 9 | -1 | 112 | 414.467 | 6 | ↓ |