| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 20th, 2014 | 59 | 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) | 6.24 | 12.76 | -15.54 | 2 | 12 | 0 | 134 | 816.943 | 10 | ↓ |
| Mid Mid (pH 6-8) | 6.24 | 15.32 | -55.71 | 3 | 12 | 1 | 135 | 817.951 | 10 | ↓ |
| Mid Mid (pH 6-8) | 6.24 | 15.31 | -54.5 | 3 | 12 | 1 | 135 | 817.951 | 10 | ↓ |
| Mid Mid (pH 6-8) | 6.24 | 17.82 | -108.62 | 4 | 12 | 2 | 136 | 818.959 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.