| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 24 | Yes |
Popular Name: 4-[[(4S)-2-chloro-4H-purin-6-yl]amino]-N-(4-pyridylmethyl)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) | -0.22 | 0.4 | -37.12 | 1 | 8 | -1 | 106 | 344.786 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.22 | 0.91 | -16.07 | 2 | 8 | 0 | 103 | 345.794 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
