| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 25 | Yes |
Popular Name: 4-[[(4S)-2-chloro-4H-purin-6-yl]amino]-N-(3-imidazol-1-ylpropyl)butanamide 4-[[(4S)-2-chloro-4H-purin-6-yl]…
| 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) | -0.38 | 2.51 | -40.81 | 1 | 9 | -1 | 110 | 361.817 | 9 | ↓ |
| Mid Mid (pH 6-8) | -0.38 | 3.02 | -19.97 | 2 | 9 | 0 | 108 | 362.825 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.38 | 3.02 | -59.29 | 2 | 9 | 0 | 112 | 362.825 | 9 | ↓ |
| Lo Low (pH 4.5-6) | -0.38 | 3.98 | -46.79 | 3 | 9 | 1 | 110 | 363.833 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
