| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 21 | Yes |
Popular Name: (1R)-N'-isopropyl-N-methyl-1-phenyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]ethane-1,2-diamine (1R)-N'-isopropyl-N-methyl-1-phe…
| 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) | 3.26 | 8.66 | -32.47 | 2 | 3 | 1 | 26 | 291.459 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.26 | 6.72 | -1.92 | 1 | 3 | 0 | 24 | 290.451 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.26 | 7.8 | -33.46 | 2 | 3 | 1 | 29 | 291.459 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.26 | 9.77 | -108.19 | 3 | 3 | 2 | 30 | 292.467 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
