| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 18 | Yes |
Popular Name: (1S)-1-[(2S)-1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoro-ethanol (1S)-1-[(2S)-1-[(5-chlorothiadia…
| 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) | 2.04 | 3.56 | -23.74 | 1 | 4 | 0 | 53 | 301.721 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 0.9 | -4.67 | 1 | 4 | 0 | 49 | 301.721 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | 3.19 | -35.38 | 2 | 4 | 1 | 50 | 302.729 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
