| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 14 | Yes |
Popular Name: (1S)-1-(1H-pyrazol-3-yl)-N-(4H-1,2,4-triazol-3-ylmethyl)ethanamine (1S)-1-(1H-pyrazol-3-yl)-N-(4H-1…
None
| 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) | -0.37 | 2.14 | -33.72 | 3 | 6 | 0 | 85 | 192.226 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.37 | 1.08 | -9.02 | 3 | 6 | 0 | 82 | 192.226 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.37 | 2.32 | -43.24 | 4 | 6 | 1 | 87 | 193.234 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
