| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 20 | Yes |
Popular Name: 2-[2-chloro-4-[(1S)-1-(methylamino)ethyl]phenyl]sulfanyl-6-methyl-1H-pyrimidin-4-one 2-[2-chloro-4-[(1S)-1-(methylami…
| 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) | 3.53 | 4.43 | -70.53 | 2 | 4 | 0 | 65 | 309.822 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.53 | 3.26 | -48.08 | 1 | 4 | -1 | 61 | 308.814 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.07 | 5.77 | -54.51 | 3 | 4 | 1 | 62 | 310.83 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
