In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 35 | No |
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) | 2.16 | 4.92 | -60.11 | 1 | 11 | -1 | 148 | 482.469 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.16 | 5.94 | -127.83 | 0 | 11 | -2 | 151 | 481.461 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.16 | 7.32 | -74.92 | 2 | 11 | 0 | 149 | 483.477 | 8 | ↓ |