| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 19 | Yes |
Popular Name: (3S)-3-[[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]amino]-3-phenyl-propanenitrile (3S)-3-[[(1S)-1-(4-methyl-1,2,4-…
| 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) | -0.18 | 7.47 | -11.38 | 1 | 5 | 0 | 67 | 255.325 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.18 | 8.3 | -48.83 | 2 | 5 | 1 | 71 | 256.333 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
