| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 16 | Yes |
Popular Name: (2S)-2-(1,4-diazepan-1-yl)-2-(3-methyl-2-thienyl)ethanol (2S)-2-(1,4-diazepan-1-yl)-2-(3-…
| 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) | 1.14 | 2.35 | -28.79 | 3 | 3 | 1 | 37 | 241.38 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 0.25 | -4.5 | 2 | 3 | 0 | 35 | 240.372 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
