In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 18 | Yes |
Popular Name: (1S)-1-(4,5-dihydro-1H-thieno[3,2-e]benzimidazol-2-yl)-3-methyl-butan-1-amine (1S)-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) | 1.13 | 5.72 | -50.9 | 4 | 3 | 1 | 56 | 262.402 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.13 | 5.37 | -8.85 | 3 | 3 | 0 | 55 | 261.394 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.13 | 5.81 | -29.06 | 4 | 3 | 1 | 56 | 262.402 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.13 | 6.05 | -117.75 | 5 | 3 | 2 | 58 | 263.41 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.