| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2011 | 12 | Yes |
None
| 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) | 1.92 | 4.12 | -25.12 | 3 | 3 | 1 | 42 | 166.248 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 3.99 | -5.13 | 2 | 3 | 0 | 41 | 165.24 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 3.85 | -5.37 | 2 | 3 | 0 | 41 | 165.24 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.92 | 4.15 | -25.31 | 3 | 3 | 1 | 42 | 166.248 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
