In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 16 | Yes |
Popular Name: (2R)-N1-methyl-N2-propyl-N1-[[(2S)-tetrahydropyran-2-yl]methyl]propane-1,2-diamine (2R)-N1-methyl-N2-propyl-N1-[[(2…
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) | 2.22 | 5.32 | -33.53 | 2 | 3 | 1 | 29 | 229.388 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.22 | 4.21 | -0.91 | 1 | 3 | 0 | 24 | 228.38 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.22 | 6.05 | -32.01 | 2 | 3 | 1 | 26 | 229.388 | 7 | ↓ |