In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 18 | Yes |
Popular Name: [5-[4-methyl-3-(trifluoromethyl)phenyl]-2-thienyl]methanamine [5-[4-methyl-3-(trifluoromethyl)…
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) | 4.21 | 6.91 | -47.48 | 3 | 1 | 1 | 28 | 272.315 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.21 | 6.51 | -4.89 | 2 | 1 | 0 | 26 | 271.307 | 3 | ↓ |