In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2008 | 24 | 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) | 2.95 | 9.94 | -49.22 | 2 | 4 | 1 | 50 | 318.4 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.95 | 8.54 | -11.26 | 1 | 4 | 0 | 45 | 317.392 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.95 | 9.04 | -36.95 | 2 | 4 | 1 | 46 | 318.4 | 6 | ↓ |