| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 19 | No |
Popular Name: (1R)-3-methylsulfonyl-1-[2-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]propan-1-amine (1R)-3-methylsulfonyl-1-[2-methy…
| 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) | -1.38 | 1.59 | -71.05 | 3 | 6 | 1 | 93 | 301.417 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.38 | 1.29 | -21.64 | 2 | 6 | 0 | 91 | 300.409 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
