In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 9th, 2009 | 26 | No |
Popular Name: N-isopropyl-2-[4-(3-methyl-2-nitro-benzoyl)-1,4-diazepan-1-yl]acetamide N-isopropyl-2-[4-(3-methyl-2-nit…
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) | 1.66 | 9 | -64.73 | 2 | 8 | 1 | 100 | 363.438 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.66 | 7.06 | -31.06 | 1 | 8 | 0 | 98 | 362.43 | 5 | ↓ |