In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 18th, 2006 | 23 | No |
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) | 4.22 | 7.08 | -12.58 | 2 | 7 | 0 | 103 | 351.149 | 3 | ↓ |
Ref Reference (pH 7) | 4.67 | 4.52 | -10.92 | 2 | 7 | 0 | 103 | 351.149 | 3 | ↓ |
Ref Reference (pH 7) | 4.04 | 7.07 | -40.21 | 3 | 7 | 1 | 101 | 352.157 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.67 | 5.04 | -39.08 | 1 | 7 | -1 | 106 | 350.141 | 3 | ↓ |