In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 26th, 2011 | 18 | 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) | -2.14 | -10.24 | -17.31 | 8 | 9 | 0 | 156 | 260.25 | 3 | ↓ |
Hi High (pH 8-9.5) | -2.14 | -11.18 | -16.6 | 6 | 9 | 0 | 152 | 258.234 | 3 | ↓ |
Hi High (pH 8-9.5) | -2.14 | -11.22 | -18.01 | 6 | 9 | 0 | 152 | 258.234 | 3 | ↓ |
Mid Mid (pH 6-8) | -2.14 | -11.27 | -21.59 | 7 | 9 | 0 | 154 | 259.242 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.