| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 24 | 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) | -0.77 | 1.71 | -8.9 | 0 | 7 | 0 | 71 | 331.42 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.77 | 4.06 | -48.98 | 1 | 7 | 0 | 72 | 332.428 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.77 | 1.65 | -12.19 | 0 | 7 | 0 | 71 | 331.42 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.77 | 4.01 | -56.06 | 1 | 7 | 0 | 72 | 332.428 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
