In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 18 | 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) | 0.09 | 3.15 | -47.25 | 3 | 3 | 1 | 40 | 247.362 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.09 | 2.86 | -3.47 | 2 | 3 | 0 | 38 | 246.354 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.09 | 5.43 | -122.95 | 4 | 3 | 2 | 41 | 248.37 | 1 | ↓ |