In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 21 | Yes |
Popular Name: 3-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide 3-hydroxy-N-[[4-(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) | 2.37 | 5.93 | -38.21 | 2 | 4 | 0 | 66 | 296.248 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.37 | 5.47 | -48.34 | 1 | 4 | -1 | 65 | 295.24 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.37 | 4.47 | -9.82 | 2 | 4 | 0 | 62 | 296.248 | 4 | ↓ |