In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 15 | 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) | 1.84 | 7.23 | -32.41 | 1 | 3 | 0 | 45 | 207.273 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.84 | 5.28 | -50.52 | 0 | 3 | -1 | 43 | 206.265 | 4 | ↓ |