In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: (1S,2S)-N2-methyl-1-phenyl-N2-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,2-diamine (1S,2S)-N2-methyl-1-phenyl-N2-[[…
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) | 0.16 | 4.06 | -36.53 | 3 | 3 | 1 | 40 | 249.378 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.16 | 3.29 | -3.54 | 2 | 3 | 0 | 38 | 248.37 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.16 | 5.83 | -114.57 | 4 | 3 | 2 | 41 | 250.386 | 5 | ↓ |