In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 17 | 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) | 2.74 | 5.44 | -10.96 | 3 | 4 | 0 | 68 | 244.685 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.74 | 4.26 | -40.09 | 2 | 4 | -1 | 66 | 243.677 | 1 | ↓ |