In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 5th, 2011 | 34 | 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) | -0.89 | 7.87 | -96.49 | 4 | 8 | 2 | 90 | 481 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.09 | 8.17 | -44.12 | 4 | 8 | 1 | 91 | 479.992 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.