In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2005 | 19 | 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) | 3.71 | -3.38 | -9.67 | 1 | 4 | 0 | 59 | 317.197 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.71 | -2.82 | -36.1 | 0 | 4 | -1 | 61 | 316.189 | 3 | ↓ |