In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 25 | 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) | 2.75 | 11.49 | -52.56 | 1 | 6 | 1 | 52 | 347.414 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.75 | 9.42 | -12.68 | 0 | 6 | 0 | 51 | 346.406 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.