In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 16 | 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) | 0.94 | 6.14 | -109.64 | 3 | 3 | 2 | 30 | 228.38 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.94 | 4.87 | -36.09 | 2 | 3 | 1 | 26 | 227.372 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.94 | 3.92 | -38.22 | 2 | 3 | 1 | 29 | 227.372 | 4 | ↓ |