| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 21 | Yes |
Popular Name: (1S)-1-[3-chloro-4-(9H-purin-6-ylsulfanyl)phenyl]-N-methyl-ethanamine (1S)-1-[3-chloro-4-(9H-purin-6-y…
| 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) | 2.80 | 8.42 | -54.55 | 3 | 5 | 1 | 71 | 320.829 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.80 | 6.77 | -39.29 | 1 | 5 | -1 | 65 | 318.813 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.80 | 7.94 | -71.91 | 2 | 5 | 0 | 69 | 319.821 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
