In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 18 | Yes |
Popular Name: (1S)-1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]ethanamine (1S)-1-[5-(2,3-dihydro-1,4-benzo…
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) | -0.92 | 2.78 | -32.8 | 4 | 5 | 1 | 74 | 246.29 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.92 | 2.42 | -11.46 | 3 | 5 | 0 | 73 | 245.282 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.92 | 2.37 | -8.48 | 3 | 5 | 0 | 73 | 245.282 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.92 | 2.75 | -56.94 | 4 | 5 | 1 | 75 | 246.29 | 2 | ↓ |