| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 14 | Yes |
Popular Name: (1S)-1-[5-(4-pyridyl)-2H-1,2,4-triazol-3-yl]ethanamine (1S)-1-[5-(4-pyridyl)-2H-1,2,4-t…
| 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) | -1.81 | 1.59 | -54.62 | 4 | 5 | 1 | 82 | 190.23 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.81 | 0.78 | -40.16 | 2 | 5 | -1 | 79 | 188.214 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.81 | 1.16 | -40.87 | 3 | 5 | 0 | 80 | 189.222 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.81 | 1.23 | -43.6 | 4 | 5 | 1 | 82 | 190.23 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.81 | 1.42 | -55.95 | 4 | 5 | 1 | 82 | 190.23 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -1.81 | 1.09 | -39.35 | 3 | 5 | 0 | 80 | 189.222 | 2 | ↓ |
