In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | No |
Popular Name: 2-[4-[(2R)-2-chloro-2-phenyl-acetyl]-1,4-diazepan-1-yl]acetamide 2-[4-[(2R)-2-chloro-2-phenyl-ace…
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) | 0.75 | 5.69 | -54.48 | 3 | 5 | 1 | 68 | 310.805 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.75 | 4.05 | -14.29 | 2 | 5 | 0 | 67 | 309.797 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.