In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 36 | 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) | 5.87 | 15.81 | -45.92 | 2 | 6 | 1 | 63 | 496.716 | 17 | ↓ |
Hi High (pH 8-9.5) | 5.87 | 13.64 | -14.51 | 1 | 6 | 0 | 62 | 495.708 | 17 | ↓ |