| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 23rd, 2011 | 17 | 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) | -2.46 | -5.1 | -16.64 | 3 | 8 | 0 | 120 | 238.203 | 2 | ↓ |
| Hi High (pH 8-9.5) | -2.46 | -5.38 | -92.95 | 1 | 8 | -2 | 125 | 236.187 | 2 | ↓ |
| Hi High (pH 8-9.5) | -2.46 | -6.08 | -32.9 | 2 | 8 | -1 | 122 | 237.195 | 2 | ↓ |
| Hi High (pH 8-9.5) | -2.46 | -5.51 | -91.31 | 1 | 8 | -2 | 125 | 236.187 | 2 | ↓ |
| Hi High (pH 8-9.5) | -2.46 | -6.21 | -32.01 | 2 | 8 | -1 | 122 | 237.195 | 2 | ↓ |
| Mid Mid (pH 6-8) | -2.46 | -4.35 | -54.86 | 2 | 8 | -1 | 123 | 237.195 | 2 | ↓ |
| Mid Mid (pH 6-8) | -2.46 | -4.49 | -53.85 | 2 | 8 | -1 | 123 | 237.195 | 2 | ↓ |
| Mid Mid (pH 6-8) | -2.83 | -6.7 | -96.3 | 1 | 8 | -2 | 129 | 236.187 | 2 | ↓ |
| Mid Mid (pH 6-8) | -2.83 | -6.85 | -93.97 | 1 | 8 | -2 | 129 | 236.187 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.