In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 23 | 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) | 2.57 | 5.71 | -44.4 | 1 | 5 | 1 | 45 | 360.569 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.57 | 3.27 | -7.71 | 0 | 5 | 0 | 44 | 359.561 | 6 | ↓ |