| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2012 | 34 | No |
Popular Name: 5-Bromo-1-tert-butoxycarbonyl-1H-indole-2-boronic acid 5-Bromo-1-tert-butoxycarbonyl-1H…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 22201-45-2 , 2941-72-2 , 35824-92-1 , 4629-50-9 , 475102-13-7 , 58249-61-9 , 699016-24-5
1-Boc-5-bromoindole-2-boronic acid
1-Boc-5-bromoindole-2-boronic acid, 95%
3-Dimethylaminobenzoic anhydride
3-Dimethylaminobenzoic anhydride, 97%
3-Fluoro-5-methoxybenzaldehyde
3-Fluoro-5-methoxybenzaldehyde, 98%
4-tert-Butylbenzoic anhydride, 95%
6-Dimethylamino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxaldehyde
6-Dimethylamino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxaldehyde, 97%
6-Methoxy-2-methylbenzothiazole
6-Methoxy-2-methylbenzothiazole, 97%
| 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) | 5.38 | 19.19 | -23.17 | 0 | 2 | 1 | 9 | 479.694 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.38 | 18.78 | -7.88 | 0 | 2 | 0 | 9 | 479.694 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.38 | 19.28 | -23.41 | 0 | 2 | 1 | 9 | 479.694 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 110-114? | Alfa-Aesar |
| Melting_Point | 110-114° | Alfa-Aesar |
| Melting_Point | 137-138? | Alfa-Aesar |
| Melting_Point | 137-138° | Alfa-Aesar |
| Melting_Point | 138-140? | Alfa-Aesar |
| Melting_Point | 138-140° | Alfa-Aesar |
| Melting_Point | 24-29? | Alfa-Aesar |
| Melting_Point | 24-29° | Alfa-Aesar |
| Melting_Point | 75-81? | Alfa-Aesar |
| Melting_Point | 75-81° | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.