| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 20 | No |
Popular Name: 2-(chloromethyl)-1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-5-methyl-benzimidazole 2-(chloromethyl)-1-[(1S,8R)-2,3,…
| 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) | 3.14 | 9.77 | -45.43 | 1 | 3 | 1 | 22 | 290.818 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 7.27 | -7.29 | 0 | 3 | 0 | 21 | 289.81 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.14 | 10.21 | -87.4 | 2 | 3 | 2 | 24 | 291.826 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
