In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 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) | 1.77 | 4.81 | -14.14 | 1 | 5 | 0 | 52 | 354.426 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.77 | 7.07 | -52.84 | 2 | 5 | 1 | 53 | 355.434 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.