| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 16 | No |
1H-thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-
5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid
5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoicacid
5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid
5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl}pentanoic acid
| 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) | 0.76 | 2.3 | -49.32 | 2 | 5 | -1 | 81 | 243.308 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.76 | 0.33 | -11.99 | 3 | 5 | 0 | 78 | 244.316 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 224-226? | Alfa-Aesar |
| Melting_Point | 224-226° | Alfa-Aesar |
| MP | 230 - 232 | Enamine Building Blocks |
| MP | 230...232 | Enamine Building Blocks |
| MP | 232° (dec) | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
| Therapy | vitamin B complex | SMDC Pharmakon |
