| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 16 | No |
Popular Name: (3S)-3-[4-(chloromethyl)-3,5-dimethyl-pyrazol-1-yl]thiolane (3S)-3-[4-(chloromethyl)-3,5-dim…
| 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) | 0.85 | 3.36 | -16.03 | 0 | 4 | 0 | 52 | 262.762 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.85 | 3.48 | -42.86 | 1 | 4 | 1 | 53 | 263.77 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
