In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 21 | Yes |
Popular Name: (1R)-N-methyl-1-(1-propylimidazol-2-yl)-1-(8-quinolyl)methanamine (1R)-N-methyl-1-(1-propylimidazo…
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) | 2.27 | 8.98 | -23.96 | 2 | 4 | 1 | 44 | 281.383 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.27 | 7.51 | -10.25 | 1 | 4 | 0 | 43 | 280.375 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.27 | 9.39 | -100.18 | 3 | 4 | 2 | 49 | 282.391 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.27 | 8.75 | -36.05 | 2 | 4 | 1 | 47 | 281.383 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.