In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 18 | 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) | 2.60 | 5.07 | -54.67 | 4 | 3 | 1 | 57 | 247.362 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.60 | 4.66 | -7.46 | 3 | 3 | 0 | 55 | 246.354 | 4 | ↓ |