| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 21 | 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) | 2.27 | 4.34 | -11.68 | 2 | 5 | 0 | 45 | 309.483 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 6.15 | -54.78 | 3 | 5 | 1 | 46 | 310.491 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 4.62 | -9.99 | 2 | 5 | 0 | 43 | 309.483 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 4.5 | -9.45 | 2 | 5 | 0 | 43 | 309.483 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.23 | 8.53 | -134.22 | 4 | 5 | 2 | 45 | 311.499 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.23 | 6.38 | -53.62 | 3 | 5 | 1 | 44 | 310.491 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.23 | 6.62 | -55.54 | 3 | 5 | 1 | 44 | 310.491 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
