| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2011 | 12 | 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) | 1.28 | 3.05 | -36.34 | 2 | 2 | 1 | 20 | 169.292 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 1.59 | -0.64 | 1 | 2 | 0 | 15 | 168.284 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 3.48 | -29.26 | 2 | 2 | 1 | 16 | 169.292 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.28 | 4.93 | -103.29 | 3 | 2 | 2 | 21 | 170.3 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
