In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 35 | No |
None
None
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) | 6.04 | 13.66 | -48.29 | 1 | 5 | 0 | 47 | 469.605 | 6 | ↓ |
Mid Mid (pH 6-8) | 6.04 | 13.56 | -8.52 | 0 | 5 | 0 | 46 | 468.597 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.