| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2011 | 20 | Yes |
Popular Name: (2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one (2S)-2-[(4-amino-5-methyl-1,2,4-…
| 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) | -0.17 | 3.96 | -12.05 | 2 | 7 | 0 | 80 | 298.416 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.17 | 6.17 | -48.18 | 3 | 7 | 1 | 81 | 299.424 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
