| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 14 | 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) | 2.12 | 4.71 | -34.89 | 3 | 3 | 1 | 45 | 194.302 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 3.51 | -5.01 | 2 | 3 | 0 | 41 | 193.294 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 3.65 | -23.98 | 3 | 3 | 1 | 42 | 194.302 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 3.58 | -24.16 | 3 | 3 | 1 | 42 | 194.302 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 3.33 | -4.8 | 2 | 3 | 0 | 41 | 193.294 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.12 | 4.92 | -100.81 | 4 | 3 | 2 | 47 | 195.31 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.12 | 4.95 | -101.08 | 4 | 3 | 2 | 47 | 195.31 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
