| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 20 | No |
Popular Name: 2-[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-3-carbothioamide 2-[[(1R)-2-(4-fluorophenyl)-1-me…
| 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) | 2.94 | 7.55 | -12.62 | 3 | 3 | 0 | 51 | 289.379 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.94 | 7.9 | -43.55 | 4 | 3 | 1 | 52 | 290.387 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
