| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 20 | Yes |
Popular Name: 4-oxo-4-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]butanoic 4-oxo-4-[4-(2-thienylmethyl)-1,4…
| 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) | 0.91 | 9 | -66.8 | 1 | 5 | 0 | 65 | 296.392 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.91 | 7.13 | -47.89 | 0 | 5 | -1 | 64 | 295.384 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.91 | 7.02 | -43 | 2 | 5 | 1 | 62 | 297.4 | 5 | ↓ |
