In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 4th, 2011 | 24 | 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) | 2.66 | 2.41 | -18.39 | 3 | 5 | 0 | 74 | 393.437 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.66 | 2.7 | -42.96 | 2 | 5 | -1 | 77 | 392.429 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.