| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 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) | 1.94 | 4.8 | -39.55 | 2 | 3 | 1 | 23 | 266.453 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 7.36 | -81.15 | 3 | 3 | 2 | 24 | 267.461 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 6.6 | -105.47 | 3 | 3 | 2 | 24 | 267.461 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.94 | 9.14 | -183.06 | 4 | 3 | 3 | 25 | 268.469 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
