| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 19 | Yes |
Popular Name: (2S)-1-imidazol-1-yl-N-(4,5,6,7-tetrahydrobenzothiophen-3-ylmethyl)propan-2-amine (2S)-1-imidazol-1-yl-N-(4,5,6,7-…
| 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) | 2.27 | 9.9 | -46.51 | 2 | 3 | 1 | 34 | 276.429 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.27 | 8.64 | -6.55 | 1 | 3 | 0 | 30 | 275.421 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.27 | 10.42 | -105.76 | 3 | 3 | 2 | 36 | 277.437 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
