In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2011 | 17 | Yes |
Popular Name: 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazol-2-ylmethanamine 4,5,6,7,8,9,10,11,12,13-decahydr…
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) | 3.49 | 5.37 | -26.96 | 4 | 3 | 1 | 56 | 236.383 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.49 | 4.62 | -6.81 | 3 | 3 | 0 | 55 | 235.375 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.49 | 5.74 | -116.22 | 5 | 3 | 2 | 58 | 237.391 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.49 | 5.01 | -45.53 | 4 | 3 | 1 | 56 | 236.383 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.