In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 29 | Yes |
None
None
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) | 4.30 | 12.32 | -42.14 | 4 | 6 | 1 | 77 | 388.426 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.17 | 11.87 | -18.83 | 3 | 6 | 0 | 77 | 387.418 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.17 | 12.37 | -40.2 | 4 | 6 | 1 | 79 | 388.426 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.