In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2010 | 14 | Yes |
Popular Name: N-[(4-methyl-1H-imidazol-5-yl)methyl]tetrahydropyran-4-amine N-[(4-methyl-1H-imidazol-5-yl)me…
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) | 0.32 | 3.35 | -38.38 | 3 | 4 | 1 | 55 | 196.274 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.32 | 2.16 | -8.53 | 2 | 4 | 0 | 50 | 195.266 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.32 | 3.79 | -104.66 | 4 | 4 | 2 | 56 | 197.282 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.