| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 21 | Yes |
Popular Name: (1S,2S)-N2,3-dimethyl-1-phenyl-N2-[[(2S)-tetrahydropyran-2-yl]methyl]butane-1,2-diamine (1S,2S)-N2,3-dimethyl-1-phenyl-N…
| 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) | 1.45 | 5.98 | -40.08 | 3 | 3 | 1 | 40 | 291.459 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.45 | 5.23 | -1.78 | 2 | 3 | 0 | 38 | 290.451 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.45 | 8.1 | -126.65 | 4 | 3 | 2 | 41 | 292.467 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
