| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 26 | Yes |
Popular Name: [5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]BLAHone [5-(3-hydroxy-3-methyl-but-1-yny…
| 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) | 2.87 | 6.71 | -14.73 | 2 | 5 | 0 | 67 | 365.458 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 7.16 | -38.36 | 3 | 5 | 1 | 68 | 366.466 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
