In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2007 | 33 | 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) | 5.87 | 12.86 | -50.69 | 0 | 5 | -1 | 73 | 477.924 | 4 | ↓ |
Mid Mid (pH 6-8) | 6.32 | 11.77 | -25.95 | 1 | 5 | 0 | 71 | 478.932 | 3 | ↓ |
Mid Mid (pH 6-8) | 5.29 | 12.75 | -18.24 | 0 | 5 | 0 | 67 | 478.932 | 4 | ↓ |