| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 15 | 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) | 2.63 | 5.38 | -34.23 | 3 | 3 | 1 | 45 | 208.329 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 4.42 | -24.86 | 3 | 3 | 1 | 42 | 208.329 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 4.32 | -5.2 | 2 | 3 | 0 | 41 | 207.321 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 4.33 | -25.12 | 3 | 3 | 1 | 42 | 208.329 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 4.12 | -4.7 | 2 | 3 | 0 | 41 | 207.321 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 5.71 | -102.49 | 4 | 3 | 2 | 47 | 209.337 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 5.64 | -102.18 | 4 | 3 | 2 | 47 | 209.337 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
