In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 2010 | 17 | Yes |
Popular Name: 1-[(5-bromo-2-thienyl)sulfonyl]-4-methyl-1,4-diazepane 1-[(5-bromo-2-thienyl)sulfonyl]-…
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) | 2.29 | 4.72 | -44.43 | 1 | 4 | 1 | 42 | 340.288 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.29 | 2.59 | -6.57 | 0 | 4 | 0 | 41 | 339.28 | 2 | ↓ |