In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2010 | 21 | Yes |
Popular Name: 2-bromo-6-[[[(1R)-1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]amino]methyl]phenol 2-bromo-6-[[[(1R)-1-(imidazol-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) | 3.36 | 8.23 | -106.41 | 4 | 4 | 2 | 56 | 354.292 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.36 | 8.46 | -34 | 2 | 4 | 0 | 57 | 352.276 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.36 | 7.72 | -40.28 | 3 | 4 | 1 | 55 | 353.284 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.