In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 31 | 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) | 3.81 | 8.93 | -19.94 | 1 | 8 | 0 | 88 | 486.37 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.81 | 11.45 | -56.25 | 2 | 8 | 1 | 90 | 487.378 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.