In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 16 | Yes |
Popular Name: [1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-4-piperidyl]methanamine [1-[(5-chloro-1-methyl-imidazol-…
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) | 0.28 | 4.78 | -108.05 | 4 | 4 | 2 | 50 | 244.77 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.28 | 2.54 | -49.18 | 3 | 4 | 1 | 49 | 243.762 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.28 | 3.23 | -83.91 | 4 | 4 | 2 | 50 | 244.77 | 3 | ↓ |