| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 21 | 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) | 3.32 | 6.12 | -10.48 | 2 | 5 | 0 | 82 | 306.435 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 4.19 | -48.21 | 1 | 5 | -1 | 85 | 305.427 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.32 | 5.88 | -59.42 | 3 | 5 | 1 | 86 | 307.443 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
