| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 21 | Yes |
Popular Name: (1R)-N'-isobutyl-N-methyl-1-phenyl-N-tetrahydropyran-4-yl-ethane-1,2-diamine (1R)-N'-isobutyl-N-methyl-1-phen…
| 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) | 2.86 | 9.39 | -121.84 | 3 | 3 | 2 | 30 | 292.467 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.86 | 5.76 | -2.23 | 1 | 3 | 0 | 24 | 290.451 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.86 | 7.03 | -38.63 | 2 | 3 | 1 | 29 | 291.459 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
