| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2014 | 65 | 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) | 9.21 | 17.95 | -51.8 | 5 | 14 | 1 | 176 | 890.025 | 12 | ↓ |
| Ref Reference (pH 7) | 9.21 | 17.98 | -52.44 | 5 | 14 | 1 | 176 | 890.025 | 12 | ↓ |
| Mid Mid (pH 6-8) | 9.21 | 18.71 | -23.48 | 4 | 14 | 0 | 175 | 889.017 | 12 | ↓ |
| Mid Mid (pH 6-8) | 9.21 | 18.16 | -26.07 | 4 | 14 | 0 | 175 | 889.017 | 12 | ↓ |
| Mid Mid (pH 6-8) | 9.21 | 17.67 | -23.08 | 4 | 14 | 0 | 175 | 889.017 | 12 | ↓ |
| Mid Mid (pH 6-8) | 9.21 | 18.27 | -27.09 | 4 | 14 | 0 | 175 | 889.017 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 9.21 | 18.45 | -52.89 | 5 | 14 | 1 | 176 | 890.025 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 9.21 | 18.94 | -83.25 | 6 | 14 | 2 | 177 | 891.033 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 9.21 | 18.63 | -83.6 | 6 | 14 | 2 | 177 | 891.033 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 9.21 | 18.86 | -51.99 | 5 | 14 | 1 | 176 | 890.025 | 12 | ↓ |
No pre-computed analogs available. Try a structural similarity search.