In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 17 | Yes |
Popular Name: (1R)-1-(4,5-dihydro-1H-thieno[3,2-e]benzimidazol-2-yl)butan-1-amine (1R)-1-(4,5-dihydro-1H-thieno[3,…
None
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 | 4.95 | -45.08 | 4 | 3 | 1 | 56 | 248.375 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.92 | 4.63 | -9.15 | 3 | 3 | 0 | 55 | 247.367 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.92 | 5.23 | -27.96 | 4 | 3 | 1 | 56 | 248.375 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.92 | 5.54 | -115.18 | 5 | 3 | 2 | 58 | 249.383 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.