| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2010 | 34 | Yes |
Popular Name: cyano-dihydroxy-(hydroxymethyl)-bis(isopropylsulfanyl)-methyl-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) | 3.22 | 4.05 | -43.24 | 4 | 8 | 0 | 132 | 507.678 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 6.27 | -62.76 | 4 | 8 | 0 | 136 | 507.678 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 7.26 | -108.35 | 3 | 8 | -1 | 139 | 506.67 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 7.38 | -98.92 | 3 | 8 | -1 | 139 | 506.67 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.22 | 1.31 | -53.26 | 3 | 8 | -1 | 131 | 506.67 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
