In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 16 | Yes |
Popular Name: 2-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-diazepan-1-yl]ethanamine 2-[4-[[(2S)-tetrahydrofuran-2-yl…
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) | -0.32 | 2.44 | -87.58 | 4 | 4 | 2 | 45 | 229.368 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.32 | 2.04 | -31.11 | 3 | 4 | 1 | 43 | 228.36 | 4 | ↓ |