In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2011 | 20 | Yes |
Popular Name: N-(4,5,6,7,8,9,10,11,12,13-decahydro-3H-cyclododeca[d]imidazol-2-ylmethyl)propan-1-amine N-(4,5,6,7,8,9,10,11,12,13-decah…
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) | 4.74 | 9.41 | -112.47 | 4 | 3 | 2 | 47 | 279.472 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.74 | 8.07 | -27.27 | 3 | 3 | 1 | 42 | 278.464 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.74 | 7.25 | -4.64 | 2 | 3 | 0 | 41 | 277.456 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.74 | 8.6 | -39.65 | 3 | 3 | 1 | 45 | 278.464 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.