In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 13 | Yes |
Popular Name: N-[[2-(aminomethyl)thiazol-4-yl]methyl]-N-ethyl-ethanamine N-[[2-(aminomethyl)thiazol-4-yl]…
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CAS Number: N/A
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) | 0.58 | 3.1 | -94.68 | 4 | 3 | 2 | 45 | 201.339 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.58 | 0.45 | -4.21 | 2 | 3 | 0 | 42 | 199.323 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.58 | 0.85 | -45.59 | 3 | 3 | 1 | 44 | 200.331 | 5 | ↓ |