| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2009 | 26 | Yes |
Popular Name: (2S)-2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(9H-purin-6-yl)propanamide (2S)-2-(1-butyl-4,5-dimethyl-imi…
| 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) | 2.78 | 10.73 | -25.95 | 2 | 8 | 0 | 101 | 373.486 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 10.18 | -42.37 | 1 | 8 | -1 | 100 | 372.478 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.78 | 10.98 | -40.96 | 3 | 8 | 1 | 103 | 374.494 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
