In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 21 | Yes |
Popular Name: (1S)-1-(4,5-dihydro-1H-thieno[3,2-e]benzimidazol-2-yl)-2-phenyl-ethanamine (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) | 1.28 | 7.51 | -32.72 | 4 | 3 | 1 | 56 | 296.419 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.28 | 7.1 | -6.75 | 3 | 3 | 0 | 55 | 295.411 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.28 | 7.46 | -49.76 | 4 | 3 | 1 | 56 | 296.419 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.28 | 7.8 | -121.76 | 5 | 3 | 2 | 58 | 297.427 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.