In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 21 | Yes |
Popular Name: (1R)-N-(m-tolylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine (1R)-N-(m-tolylmethyl)-1-[3-(tri…
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) | 4.75 | 10.68 | -46.98 | 2 | 1 | 1 | 17 | 294.34 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.75 | 9.41 | -3.09 | 1 | 1 | 0 | 12 | 293.332 | 5 | ↓ |