In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 27th, 2010 | 13 | Yes |
Popular Name: (2S)-N1-methyl-N1-[[(2S)-tetrahydropyran-2-yl]methyl]propane-1,2-diamine (2S)-N1-methyl-N1-[[(2S)-tetrahy…
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) | 0.43 | 1.65 | -33.66 | 3 | 3 | 1 | 40 | 187.307 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.43 | 3.59 | -110.04 | 4 | 3 | 2 | 41 | 188.315 | 4 | ↓ |