| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 14 | 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) | 1.15 | 3.74 | -36.4 | 3 | 2 | 1 | 31 | 211.354 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 5.17 | -27.43 | 3 | 2 | 1 | 30 | 211.354 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 3.07 | -1.19 | 2 | 2 | 0 | 29 | 210.346 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.15 | 5.53 | -108.45 | 4 | 2 | 2 | 32 | 212.362 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
