| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 19 | Yes |
Popular Name: (3S)-3-[[(1R)-2-imidazol-1-yl-1-methyl-ethyl]amino]-3-phenyl-propanenitrile (3S)-3-[[(1R)-2-imidazol-1-yl-1-…
| 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) | 0.25 | 8.88 | -36.65 | 2 | 4 | 1 | 55 | 255.345 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.25 | 8.36 | -8.76 | 1 | 4 | 0 | 54 | 254.337 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.25 | 9.15 | -46.72 | 2 | 4 | 1 | 58 | 255.345 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.25 | 9.66 | -109.8 | 3 | 4 | 2 | 59 | 256.353 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
