| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 20 | 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) | 2.01 | 7.83 | -43.27 | 3 | 3 | 1 | 44 | 294.488 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.01 | 7.5 | -4.89 | 2 | 3 | 0 | 42 | 293.48 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.01 | 6.91 | -21.02 | 3 | 3 | 1 | 43 | 294.488 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.01 | 7.25 | -96.36 | 4 | 3 | 2 | 45 | 295.496 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
