| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 18 | Yes |
Popular Name: (2S)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-ethyl-2-phenyl-ethanamine (2S)-2-(3,5-dimethyl-1,2,4-triaz…
| 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) | 1.03 | 8.2 | -44.04 | 2 | 4 | 1 | 47 | 245.35 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.03 | 6.65 | -7.54 | 1 | 4 | 0 | 43 | 244.342 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.03 | 8.63 | -101.58 | 3 | 4 | 2 | 49 | 246.358 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
