In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 26 | 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) | 1.47 | 5.55 | -85.22 | 4 | 8 | 1 | 99 | 353.454 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.47 | 2.75 | -38.73 | 2 | 8 | -1 | 97 | 351.438 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.47 | 3.26 | -42.72 | 3 | 8 | 0 | 98 | 352.446 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.