In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 14th, 2007 | 34 | 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) | 6.59 | 15.61 | -39.23 | 2 | 5 | 0 | 71 | 519.439 | 9 | ↓ |
Hi High (pH 8-9.5) | 6.59 | 14.23 | -54.39 | 1 | 5 | -1 | 66 | 518.431 | 9 | ↓ |