In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2011 | 44 | 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) | 7.11 | 13.46 | -17.8 | 1 | 7 | 0 | 79 | 588.704 | 11 | ↓ |
Mid Mid (pH 6-8) | 7.11 | 16.5 | -38.32 | 1 | 7 | 0 | 83 | 588.704 | 11 | ↓ |
Mid Mid (pH 6-8) | 7.11 | 15.75 | -55.47 | 2 | 7 | 1 | 81 | 589.712 | 11 | ↓ |
Mid Mid (pH 6-8) | 7.11 | 14.24 | -49.96 | 0 | 7 | -1 | 82 | 587.696 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.