| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 27 | Yes |
None
| 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) | 1.27 | 4.5 | -42.38 | 5 | 8 | 1 | 113 | 389.505 | 6 | ↓ |
| Ref Reference (pH 7) | 1.27 | 3.59 | -14.58 | 4 | 8 | 0 | 112 | 388.497 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 4.03 | -12.14 | 4 | 8 | 0 | 112 | 388.497 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.27 | 4.53 | -42.04 | 5 | 8 | 1 | 113 | 389.505 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
