In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 13 | 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) | -1.35 | 3.66 | -32.54 | 2 | 4 | 0 | 66 | 187.239 | 6 | ↓ |
Hi High (pH 8-9.5) | -1.35 | 2.26 | -42.16 | 1 | 4 | -1 | 61 | 186.231 | 6 | ↓ |