| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 16 | Yes |
Popular Name: (1R,2S)-1-amino-1-[2-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]propan-2-ol (1R,2S)-1-amino-1-[2-methyl-5-(2…
| 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) | -1.32 | 0.65 | -53.74 | 4 | 5 | 1 | 79 | 239.324 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.32 | 0.33 | -13.45 | 3 | 5 | 0 | 77 | 238.316 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
