In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 31 | 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) | 1.61 | 4.72 | -52.39 | 3 | 9 | 1 | 107 | 448.569 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.61 | 4.27 | -24.65 | 2 | 9 | 0 | 106 | 447.561 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.