In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 17th, 2010 | 24 | No |
Popular Name: N,N-dimethyl-2-[4-(2-nitrobenzoyl)-1,4-diazepan-1-yl]acetamide N,N-dimethyl-2-[4-(2-nitrobenzoy…
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) | -0.11 | 9.29 | -47.63 | 1 | 8 | 1 | 91 | 335.384 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.11 | 7.53 | -23.82 | 0 | 8 | 0 | 90 | 334.376 | 4 | ↓ |