In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 13 | Yes |
Popular Name: 2-Benzothiazolemethanamine, 6-fluoro-alpha-methyl- (9CI) 2-Benzothiazolemethanamine, 6-fl…
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CAS Number: 185949-49-9
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) | 0.11 | 2.78 | -44.23 | 3 | 2 | 1 | 41 | 197.258 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.11 | 2.44 | -4.88 | 2 | 2 | 0 | 39 | 196.25 | 1 | ↓ |