| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | No |
Popular Name: (3S)-3-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]-3-phenyl-propanethioamide (3S)-3-[methyl-[[(2S)-tetrahydro…
| 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) | 1.99 | 7.54 | -38.85 | 3 | 3 | 1 | 40 | 293.456 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 5.27 | -6.75 | 2 | 3 | 0 | 38 | 292.448 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
