In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 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) | 0.53 | 6.87 | -85.85 | 2 | 5 | 1 | 52 | 258.386 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.53 | 4.59 | -65.44 | 1 | 5 | 0 | 51 | 257.378 | 8 | ↓ |