In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 19 | Yes |
Popular Name: (1R)-1-(4-ethylphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (1R)-1-(4-ethylphenyl)-N-[(1R)-1…
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) | 2.56 | 9.69 | -42.23 | 2 | 4 | 1 | 47 | 259.377 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.56 | 8.68 | -11.76 | 1 | 4 | 0 | 43 | 258.369 | 5 | ↓ |