In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2010 | 20 | 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) | 2.07 | 8.17 | -38.29 | 2 | 5 | 1 | 57 | 274.344 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.07 | 7.34 | -14.16 | 1 | 5 | 0 | 56 | 273.336 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.