| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2009 | 42 | 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) | 0.01 | 3.91 | -96.47 | 9 | 13 | 1 | 214 | 586.666 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.46 | 1.37 | -103.86 | 7 | 13 | -1 | 213 | 584.65 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.01 | 2.44 | -82.54 | 8 | 13 | 0 | 213 | 585.658 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.57 | 3.26 | -125.75 | 7 | 13 | 0 | 214 | 585.658 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.57 | 2.56 | -105.09 | 7 | 13 | 0 | 214 | 585.658 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.57 | 3.2 | -158.92 | 6 | 13 | -1 | 217 | 584.65 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.72 | 1.18 | -52.56 | 9 | 13 | 1 | 210 | 586.666 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.72 | 2.71 | -92.49 | 10 | 13 | 2 | 212 | 587.674 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.