In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 16 | Yes |
Popular Name: (1R,2R)-1-(4-fluorophenyl)-N1-isopropyl-N1-methyl-propane-1,2-diamine (1R,2R)-1-(4-fluorophenyl)-N1-is…
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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) | 1.97 | 5.68 | -125.59 | 4 | 2 | 2 | 32 | 226.339 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.97 | 4.76 | -41.16 | 3 | 2 | 1 | 31 | 225.331 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.97 | 5.38 | -32.61 | 3 | 2 | 1 | 30 | 225.331 | 4 | ↓ |