| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2011 | 27 | Yes |
| 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) | 1.90 | 7.2 | -52.23 | 4 | 8 | 1 | 120 | 366.449 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.90 | 4.29 | -36.24 | 4 | 8 | 1 | 117 | 366.449 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.90 | 4.45 | -9.81 | 3 | 8 | 0 | 116 | 365.441 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.90 | 7.63 | -108.33 | 5 | 8 | 2 | 121 | 367.457 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
