| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 27 | 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) | -1.38 | 7.25 | -64.74 | 2 | 8 | -1 | 113 | 373.364 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.38 | 5.25 | -14.67 | 3 | 8 | 0 | 110 | 374.372 | 4 | ↓ |
| Mid Mid (pH 6-8) | -4.11 | 5.26 | -33.16 | 3 | 8 | 0 | 116 | 374.372 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -4.12 | 5.57 | -92.77 | 4 | 8 | 1 | 118 | 375.38 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -1.38 | 5.55 | -59.58 | 4 | 8 | 1 | 112 | 375.38 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
