In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2009 | 16 | Yes |
Popular Name: (3S,4S)-N3-cyclohexyl-N3-ethyl-tetrahydropyran-3,4-diamine (3S,4S)-N3-cyclohexyl-N3-ethyl-t…
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) | 1.59 | 3.36 | -41.27 | 3 | 3 | 1 | 40 | 227.372 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.59 | 2.27 | -1.25 | 2 | 3 | 0 | 38 | 226.364 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.59 | 4.38 | -113.57 | 4 | 3 | 2 | 41 | 228.38 | 3 | ↓ |