| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 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) | 1.71 | 4.71 | -50.11 | 3 | 4 | 1 | 64 | 286.399 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.71 | 3.48 | -6.8 | 2 | 4 | 0 | 59 | 285.391 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 5.73 | -37.14 | 3 | 4 | 1 | 60 | 286.399 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
