In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2010 | 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) | 2.37 | 8.98 | -46.22 | 1 | 9 | -1 | 126 | 408.419 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.91 | 10.42 | -18.02 | 2 | 9 | 0 | 123 | 409.427 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.