In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 19 | Yes |
Popular Name: 1H-benzimidazol-5-yl-[(2R,6R)-2,6-dimethylpiperazin-1-yl]methanone 1H-benzimidazol-5-yl-[(2R,6R)-2,…
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) | 0.33 | 4.86 | -57.13 | 3 | 5 | 1 | 66 | 259.333 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.33 | 3.5 | -15.48 | 2 | 5 | 0 | 61 | 258.325 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.33 | 5.35 | -94.71 | 4 | 5 | 2 | 67 | 260.341 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.