| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2011 | 15 | 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) | 2.23 | 3.98 | -8.4 | 2 | 4 | 0 | 57 | 198.229 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 4.03 | -10.44 | 2 | 4 | 0 | 57 | 198.229 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.23 | 4.42 | -29.06 | 3 | 4 | 1 | 59 | 199.237 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.23 | 4.47 | -25.64 | 3 | 4 | 1 | 59 | 199.237 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
