| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2009 | 32 | Yes |
Popular Name: [4-(o-tolylmethyl)-1,4-diazepan-1-yl]-[(2S)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]methanone [4-(o-tolylmethyl)-1,4-diazepan-…
| 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) | 3.40 | 12.41 | -53.91 | 1 | 6 | 1 | 62 | 456.632 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.40 | 10.09 | -18.12 | 0 | 6 | 0 | 61 | 455.624 | 5 | ↓ |
