In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | Yes |
Popular Name: (2S,3R)-N1,3-dimethyl-N1-[[(2S)-tetrahydropyran-2-yl]methyl]pentane-1,2-diamine (2S,3R)-N1,3-dimethyl-N1-[[(2S)-…
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) | 1.71 | 3.67 | -33.89 | 3 | 3 | 1 | 40 | 229.388 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.71 | 5.27 | -30.58 | 3 | 3 | 1 | 40 | 229.388 | 6 | ↓ |