In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2010 | 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) | 1.76 | 4.05 | -11.02 | 2 | 5 | 0 | 63 | 257.293 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.76 | 4.51 | -38.81 | 3 | 5 | 1 | 64 | 258.301 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.