| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 20 | No |
Popular Name: (2S)-N-[(1R)-1-methylpropyl]-2-[3-sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide (2S)-N-[(1R)-1-methylpropyl]-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) | 2.75 | 7.26 | -58.18 | 1 | 5 | -1 | 60 | 309.44 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 7.04 | -16.82 | 2 | 5 | 0 | 63 | 310.448 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
