In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 28 | 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) | 2.72 | 5.86 | -15.6 | 0 | 7 | 0 | 77 | 376.416 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.72 | 8.09 | -51.64 | 1 | 7 | 1 | 79 | 377.424 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.