In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 16 | Yes |
Popular Name: (4S)-4-methyl-1-[2-[(2S)-tetrahydrofuran-2-yl]ethyl]-1,5-diazocane (4S)-4-methyl-1-[2-[(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) | 1.14 | 4.4 | -34.81 | 2 | 3 | 1 | 29 | 227.372 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.14 | 5.83 | -102.38 | 3 | 3 | 2 | 30 | 228.38 | 3 | ↓ |