In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 10th, 2009 | 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) | -0.06 | 5.25 | -50.68 | 3 | 2 | 1 | 41 | 199.277 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.06 | 4.95 | -4.03 | 2 | 2 | 0 | 39 | 198.269 | 3 | ↓ |