In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2010 | 21 | Yes |
Popular Name: 2-[4-(aminomethyl)-2-chloro-phenoxy]-N-cycloheptyl-acetamide 2-[4-(aminomethyl)-2-chloro-phen…
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) | 3.30 | 5.82 | -59.47 | 4 | 4 | 1 | 66 | 311.833 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.30 | 5.42 | -13.93 | 3 | 4 | 0 | 64 | 310.825 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.