| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 13 | 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) | 0.88 | 1.93 | -1.74 | 1 | 2 | 0 | 15 | 200.351 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.88 | 3.27 | -41.29 | 2 | 2 | 1 | 20 | 201.359 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.88 | 3.84 | -31.48 | 2 | 2 | 1 | 16 | 201.359 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.88 | 5.17 | -107.79 | 3 | 2 | 2 | 21 | 202.367 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
