In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 16 | Yes |
Popular Name: (3S,4R)-N3,N4-dimethyl-N3-tetrahydropyran-4-yl-tetrahydropyran-3,4-diamine (3S,4R)-N3,N4-dimethyl-N3-tetrah…
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) | 0.59 | 1.08 | -37.69 | 2 | 4 | 1 | 38 | 229.344 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.59 | -0.13 | -2.58 | 1 | 4 | 0 | 34 | 228.336 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.59 | 1.76 | -34.92 | 2 | 4 | 1 | 35 | 229.344 | 3 | ↓ |