| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 19 | Yes |
Popular Name: (3S,4R)-3-(2-ethylbenzimidazol-1-yl)-N-methyl-tetrahydropyran-4-amine (3S,4R)-3-(2-ethylbenzimidazol-1…
| 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) | 2.03 | 6.14 | -44.53 | 2 | 4 | 1 | 44 | 260.361 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 4.66 | -8.17 | 1 | 4 | 0 | 39 | 259.353 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | 6.63 | -92.26 | 3 | 4 | 2 | 45 | 261.369 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
