| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 15 | 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 | 4.29 | -34.78 | 2 | 4 | 1 | 52 | 201.253 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 4.13 | -10.44 | 1 | 4 | 0 | 51 | 200.245 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 4.28 | -37.43 | 2 | 4 | 1 | 52 | 201.253 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.86 | 4.75 | -81.48 | 3 | 4 | 2 | 53 | 202.261 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.86 | 4.75 | -83.41 | 3 | 4 | 2 | 53 | 202.261 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
