In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 37 | 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) | 5.94 | 12.81 | -51.17 | 1 | 6 | 0 | 56 | 499.631 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.94 | 15.7 | -116.94 | 2 | 6 | 0 | 58 | 500.639 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.94 | 12.71 | -11.4 | 0 | 6 | 0 | 55 | 498.623 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.