| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 19 | No |
Popular Name: (1S)-3-methylsulfonyl-1-[5-(3-pyridyl)-1H-imidazol-2-yl]propan-1-amine (1S)-3-methylsulfonyl-1-[5-(3-py…
| 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) | -2.21 | 0.19 | -73.2 | 4 | 6 | 1 | 103 | 281.361 | 5 | ↓ |
| Hi High (pH 8-9.5) | -2.21 | -0.1 | -20.26 | 3 | 6 | 0 | 102 | 280.353 | 5 | ↓ |
| Mid Mid (pH 6-8) | -2.21 | 0.28 | -47.62 | 4 | 6 | 1 | 103 | 281.361 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -2.21 | 0.57 | -146.2 | 5 | 6 | 2 | 105 | 282.369 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
