| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2010 | 15 | Yes |
Popular Name: 2-Benzothiazolepropanoic acid, alpha-amino- (9CI) 2-Benzothiazolepropanoic acid, a…
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CAS Number: 497097-56-0
| 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) | -1.06 | 3.59 | -30.98 | 3 | 4 | 0 | 81 | 222.269 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.06 | 3.23 | -46.77 | 2 | 4 | -1 | 79 | 221.261 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.