| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2008 | 42 | 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) | 0.01 | 3.54 | -85.11 | 9 | 13 | 1 | 214 | 586.666 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.28 | 1.01 | -83.09 | 8 | 13 | 0 | 213 | 585.658 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.72 | 3.16 | -98.95 | 9 | 13 | 1 | 214 | 586.666 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.01 | 3.34 | -79.27 | 8 | 13 | 0 | 213 | 585.658 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.72 | -0.14 | -54.03 | 9 | 13 | 1 | 210 | 586.666 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.72 | 2.11 | -91.43 | 10 | 13 | 2 | 212 | 587.674 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.