In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 27 | No |
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) | 3.90 | 10.64 | -18.01 | 1 | 6 | 0 | 71 | 442.342 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.96 | 8.8 | -56.21 | 0 | 6 | -1 | 77 | 441.334 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.