In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 9th, 2011 | 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) | 3.00 | 6.36 | -44 | 2 | 2 | 1 | 20 | 225.743 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.00 | 4.91 | -2.41 | 1 | 2 | 0 | 15 | 224.735 | 3 | ↓ |