In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 1st, 2008 | 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) | 2.23 | 11.61 | -33.97 | 3 | 11 | 0 | 152 | 474.495 | 14 | ↓ |
Mid Mid (pH 6-8) | 2.27 | 11.45 | -62.7 | 2 | 11 | -1 | 152 | 473.487 | 13 | ↓ |
No pre-computed analogs available. Try a structural similarity search.