| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2009 | 19 | Yes |
Popular Name: (1S)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(4-ethylphenyl)ethanamine (1S)-N-[(4,5-dimethyl-1,2,4-tria…
| 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) | 2.08 | 9.24 | -48.1 | 2 | 4 | 1 | 47 | 259.377 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 8.11 | -10.61 | 1 | 4 | 0 | 43 | 258.369 | 5 | ↓ |
