| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 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) | 1.00 | 6.41 | -115.31 | 3 | 4 | 2 | 39 | 256.781 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 2.73 | -6.01 | 1 | 4 | 0 | 33 | 254.765 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 5.24 | -38.47 | 2 | 4 | 1 | 34 | 255.773 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.00 | 5.7 | -81.62 | 3 | 4 | 2 | 36 | 256.781 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
