In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 19 | 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) | 1.94 | 3.6 | -102.09 | 0 | 6 | -2 | 101 | 316.747 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.94 | 3.8 | -56.58 | 1 | 6 | -1 | 99 | 317.755 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.