In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 19 | Yes |
Popular Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-(3-methyl-1H-pyrazol-4-yl)methanamine N-[(7-bromo-1,3-benzodioxol-5-yl…
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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) | 2.05 | 4.56 | -56.22 | 3 | 5 | 1 | 64 | 325.186 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.05 | 3.22 | -9.51 | 2 | 5 | 0 | 59 | 324.178 | 4 | ↓ |