In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 21 | Yes |
Popular Name: 2-(3-aminophenyl)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone 2-(3-aminophenyl)-1-[4-(2-methox…
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) | 0.67 | 6.25 | -40.23 | 3 | 5 | 1 | 60 | 292.403 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.67 | 4.29 | -10.28 | 2 | 5 | 0 | 59 | 291.395 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.