| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2012 | 31 | Yes |
Popular Name: BIX02188 BIX02188
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1094614-84-2 , 334949-59-6
| 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) | 3.25 | 8.37 | -56.93 | 5 | 6 | 1 | 92 | 413.501 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 5.9 | -14.49 | 4 | 6 | 0 | 91 | 412.493 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 5.55 | -14.81 | 4 | 6 | 0 | 91 | 412.493 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.25 | 8.02 | -48.29 | 5 | 6 | 1 | 92 | 413.501 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.