In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 26th, 2011 | 35 | 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) | 6.71 | 13.63 | -239.93 | 8 | 4 | 4 | 66 | 492.881 | 6 | ↓ |
Hi High (pH 8-9.5) | 6.71 | 11.82 | -75.43 | 6 | 4 | 2 | 57 | 490.865 | 6 | ↓ |
Hi High (pH 8-9.5) | 6.71 | 11.76 | -84.96 | 6 | 4 | 2 | 57 | 490.865 | 6 | ↓ |
Hi High (pH 8-9.5) | 6.71 | 12.71 | -160.54 | 7 | 4 | 3 | 62 | 491.873 | 6 | ↓ |