| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2010 | 24 | Yes |
Popular Name: 1-[4-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]-1-piperidyl]ethanone 1-[4-[4-(2-thienylmethyl)-1,4-di…
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| 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) | 1.29 | 9.28 | -56.85 | 1 | 5 | 1 | 45 | 350.508 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.29 | 7.57 | -16.38 | 0 | 5 | 0 | 44 | 349.5 | 3 | ↓ |
