| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 20 | 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) | 2.20 | 7.18 | -34.71 | 3 | 4 | 1 | 58 | 267.356 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 6.01 | -10.21 | 2 | 4 | 0 | 57 | 266.348 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.20 | 7.12 | -119.52 | 4 | 4 | 2 | 60 | 268.364 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.20 | 6.33 | -54.33 | 3 | 4 | 1 | 58 | 267.356 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
