| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 19 | Yes |
Popular Name: (2S,3S)-N2-methyl-3-phenyl-N2-[[(2S)-tetrahydrofuran-2-yl]methyl]butane-1,2-diamine (2S,3S)-N2-methyl-3-phenyl-N2-[[…
| 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) | 2.11 | 6.08 | -119.51 | 4 | 3 | 2 | 41 | 264.413 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.11 | 4.2 | -40.6 | 3 | 3 | 1 | 40 | 263.405 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.11 | 6.49 | -28.17 | 3 | 3 | 1 | 40 | 263.405 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
