| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2008 | 34 | 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) | -3.99 | 3.16 | -131.28 | 5 | 14 | -2 | 222 | 471.43 | 9 | ↓ |
| Hi High (pH 8-9.5) | -3.99 | 3.95 | -146.65 | 5 | 14 | -2 | 221 | 471.43 | 9 | ↓ |
| Mid Mid (pH 6-8) | -3.99 | 3.6 | -148.63 | 6 | 14 | -1 | 223 | 472.438 | 9 | ↓ |
| Lo Low (pH 4.5-6) | -3.99 | 1.58 | -106.03 | 7 | 14 | 0 | 220 | 473.446 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.