In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2010 | 22 | 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) | 1.80 | 4.09 | -13.83 | 1 | 7 | 0 | 94 | 370.51 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.87 | 2.33 | -40.61 | 0 | 7 | -1 | 100 | 369.502 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.