| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 19 | 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) | 1.80 | 4.9 | -2.98 | 1 | 3 | 0 | 24 | 262.397 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 5.84 | -40.53 | 2 | 3 | 1 | 29 | 263.405 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 7.19 | -38.94 | 2 | 3 | 1 | 26 | 263.405 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.80 | 8.13 | -116.52 | 3 | 3 | 2 | 30 | 264.413 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
