In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 25th, 2009 | 15 | Yes |
Popular Name: 2-phenyl-1-(pyridin-3-yl)ethanamine 2-phenyl-1-(pyridin-3-yl)ethanamine
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CAS Number: 118385-85-6
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) | -0.01 | 5.27 | -45.51 | 3 | 2 | 1 | 41 | 199.277 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.01 | 4.94 | -4.86 | 2 | 2 | 0 | 39 | 198.269 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.01 | 5.74 | -108.58 | 4 | 2 | 2 | 42 | 200.285 | 3 | ↓ |