| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 4th, 2011 | 22 | Yes |
Popular Name: (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (3S)-N-[(1-methylbenzimidazol-2-…
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) | 2.24 | 4.58 | -10.67 | 1 | 4 | 0 | 33 | 312.339 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.24 | 5.76 | -51.64 | 2 | 4 | 1 | 38 | 313.347 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.24 | 5.01 | -30.81 | 2 | 4 | 1 | 34 | 313.347 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.24 | 6.2 | -119.46 | 3 | 4 | 2 | 39 | 314.355 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
