| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2010 | 18 | 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) | 1.70 | 4.1 | -39.54 | 2 | 3 | 1 | 23 | 252.426 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.70 | 6.67 | -80.97 | 3 | 3 | 2 | 24 | 253.434 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.70 | 5.91 | -104.31 | 3 | 3 | 2 | 24 | 253.434 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.70 | 8.47 | -181.54 | 4 | 3 | 3 | 25 | 254.442 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
