| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2009 | 28 | 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) | -0.10 | 10.63 | -104.31 | 1 | 7 | 0 | 79 | 393.39 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.10 | 8.28 | -66.78 | 0 | 7 | -1 | 78 | 392.382 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.10 | 8.61 | -57.47 | 2 | 7 | 1 | 76 | 394.398 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -2.84 | 9.35 | -80.08 | 2 | 7 | 1 | 82 | 394.398 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
