In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 16 | 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) | 1.04 | 3.17 | -13.45 | 1 | 5 | 0 | 67 | 211.228 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.04 | 2.74 | -47.26 | 0 | 5 | -1 | 66 | 210.22 | 1 | ↓ |