In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 24 | Yes |
Popular Name: azepan-1-yl-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone azepan-1-yl-(2-hydroxy-5-pyrroli…
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) | 2.50 | 4.1 | -14.12 | 1 | 6 | 0 | 78 | 352.456 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.50 | 4.92 | -57.43 | 0 | 6 | -1 | 81 | 351.448 | 3 | ↓ |