| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2004 | 16 | 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) | 0.86 | 2.01 | -6.97 | 2 | 10 | 0 | 135 | 218.136 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.87 | 1.54 | -8.91 | 2 | 10 | 0 | 135 | 218.136 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 1.61 | -27.25 | 1 | 10 | -1 | 134 | 217.128 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 2.43 | -41.51 | 3 | 10 | 1 | 136 | 219.144 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.