In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2011 | 21 | Yes |
Popular Name: N-[[4-(1-adamantyl)-1H-imidazol-2-yl]methyl]-2-methyl-propan-2-amine N-[[4-(1-adamantyl)-1H-imidazol-…
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) | 3.92 | 8.27 | -35.81 | 3 | 3 | 1 | 45 | 288.459 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.92 | 7.21 | -4.53 | 2 | 3 | 0 | 41 | 287.451 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.92 | 7.75 | -28.91 | 3 | 3 | 1 | 42 | 288.459 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.