In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 18 | Yes |
Popular Name: 2-[(2S)-2-piperidyl]-4,5-dihydro-1H-thieno[3,2-e]benzimidazole 2-[(2S)-2-piperidyl]-4,5-dihydro…
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) | 2.64 | 6.49 | -36.89 | 3 | 3 | 1 | 45 | 260.386 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.64 | 5.64 | -26.02 | 3 | 3 | 1 | 42 | 260.386 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.64 | 5.42 | -9.12 | 2 | 3 | 0 | 41 | 259.378 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.64 | 6.89 | -105.71 | 4 | 3 | 2 | 47 | 261.394 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.