In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 20 | No |
Popular Name: (1R)-1-(4,5-dihydro-1H-thieno[3,2-e]benzimidazol-2-yl)-3-methylsulfonyl-propan-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) | -0.85 | 2.02 | -42.33 | 4 | 5 | 1 | 90 | 312.44 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.85 | 1.74 | -65.95 | 4 | 5 | 1 | 90 | 312.44 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.85 | 1.45 | -17.85 | 3 | 5 | 0 | 89 | 311.432 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.85 | 2.33 | -139.12 | 5 | 5 | 2 | 92 | 313.448 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.