In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2011 | 17 | Yes |
Popular Name: N-(4,5,6,7,8,9-hexahydro-3H-cycloocta[d]imidazol-2-ylmethyl)-2-methyl-propan-1-amine N-(4,5,6,7,8,9-hexahydro-3H-cycl…
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) | 2.96 | 7.74 | -109.94 | 4 | 3 | 2 | 47 | 237.391 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.96 | 6.53 | -26.33 | 3 | 3 | 1 | 42 | 236.383 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.96 | 5.28 | -5.17 | 2 | 3 | 0 | 41 | 235.375 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.96 | 6.64 | -39.55 | 3 | 3 | 1 | 45 | 236.383 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.