In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 14 | Yes |
Popular Name: (2R)-N1-methyl-N1-[[(2S)-tetrahydropyran-2-yl]methyl]butane-1,2-diamine (2R)-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) | 0.96 | 2.39 | -34.6 | 3 | 3 | 1 | 40 | 201.334 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.96 | 4.43 | -113.24 | 4 | 3 | 2 | 41 | 202.342 | 5 | ↓ |