| 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) | 3.42 | 7.85 | -88.22 | 3 | 4 | 2 | 43 | 313.511 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.42 | 6.12 | -6.59 | 1 | 4 | 0 | 37 | 311.495 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.42 | 7.45 | -39.59 | 2 | 4 | 1 | 42 | 312.503 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
