In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 22 | Yes |
None
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) | 4.44 | 10.45 | -32.38 | 1 | 2 | 1 | 8 | 301.498 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.44 | 8.45 | -1.52 | 0 | 2 | 0 | 6 | 300.49 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.44 | 10.74 | -36.75 | 1 | 2 | 1 | 8 | 301.498 | 4 | ↓ |