In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 17th, 2011 | 33 | 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) | 1.54 | 3.74 | -34.63 | 2 | 10 | 0 | 150 | 477.563 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.12 | 3.37 | -133.62 | 2 | 10 | -2 | 156 | 476.555 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.12 | 3.78 | -61.46 | 3 | 10 | -1 | 154 | 477.563 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.54 | 4.14 | -33.37 | 3 | 10 | 0 | 148 | 478.571 | 8 | ↓ |