| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 21 | 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) | 1.72 | 7.57 | -47.18 | 3 | 3 | 1 | 44 | 306.43 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 7.25 | -10.49 | 2 | 3 | 0 | 42 | 305.422 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 7.9 | -90.36 | 4 | 3 | 2 | 45 | 307.438 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
