In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 26th, 2006 | 19 | Yes |
None
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) | 2.82 | 3.21 | -15.04 | 2 | 5 | 0 | 80 | 258.229 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.82 | 4.19 | -61.12 | 1 | 5 | -1 | 83 | 257.221 | 1 | ↓ |