In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 20 | 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) | 2.36 | 3.98 | -7.31 | 1 | 5 | 0 | 54 | 276.384 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.36 | 6.19 | -38.25 | 2 | 5 | 1 | 55 | 277.392 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.