In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 10th, 2006 | 16 | 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) | 1.36 | -0.48 | -10.65 | 4 | 6 | 0 | 100 | 283.085 | 1 | ↓ |
Ref Reference (pH 7) | 1.36 | -0.6 | -10.49 | 4 | 6 | 0 | 100 | 283.085 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.82 | -2.24 | -39.99 | 3 | 6 | -1 | 103 | 282.077 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.82 | -2.48 | -38.41 | 3 | 6 | -1 | 103 | 282.077 | 1 | ↓ |