In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2011 | 29 | 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) | 4.01 | 11.74 | -54.59 | 2 | 6 | 1 | 64 | 424.937 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.01 | 9.47 | -17.71 | 1 | 6 | 0 | 63 | 423.929 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.