In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2011 | 24 | 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) | 1.07 | 8.89 | -54.81 | 1 | 6 | 1 | 55 | 330.456 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.07 | 6.69 | -16.19 | 0 | 6 | 0 | 54 | 329.448 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.