| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 30 | Yes |
Popular Name: cyano-dihydroxy-(hydroxymethyl)-methyl-bis(methylsulfanyl)BLAHcarboxylic cyano-dihydroxy-(hydroxymethyl)-…
| 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) | 1.75 | 1.65 | -57 | 4 | 8 | 0 | 132 | 451.57 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.75 | 3.92 | -91.72 | 4 | 8 | 0 | 136 | 451.57 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.75 | 4.33 | -131.67 | 3 | 8 | -1 | 139 | 450.562 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.75 | 4.68 | -119.39 | 3 | 8 | -1 | 139 | 450.562 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.75 | -0.91 | -54.69 | 3 | 8 | -1 | 131 | 450.562 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
