| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 19 | No |
Popular Name: 5-chloro-2-[[(1S)-1-(3-pyridyl)ethyl]amino]benzenecarbothioamide 5-chloro-2-[[(1S)-1-(3-pyridyl)e…
| 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) | 2.92 | 5.78 | -13.68 | 3 | 3 | 0 | 51 | 291.807 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.92 | 6.25 | -48.29 | 4 | 3 | 1 | 52 | 292.815 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
