In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 20 | No |
Popular Name: 2-(3-pyridylamino)-5-(trifluoromethyl)benzenecarbothioamide 2-(3-pyridylamino)-5-(trifluorom…
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) | 3.48 | 5.51 | -11.04 | 3 | 3 | 0 | 51 | 297.305 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.48 | 5.97 | -32.79 | 4 | 3 | 1 | 52 | 298.313 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.