| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 19 | No |
Popular Name: (2S)-N-allyl-2-[3-sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide (2S)-N-allyl-2-[3-sulfanyl-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) | 2.19 | 6.04 | -57.37 | 1 | 5 | -1 | 60 | 293.397 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 5.82 | -16.68 | 2 | 5 | 0 | 63 | 294.405 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
