In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2010 | 20 | Yes |
Popular Name: N-[2-[4-[(isobutylamino)methyl]triazol-1-yl]ethyl]-N-methyl-cyclopentanamine N-[2-[4-[(isobutylamino)methyl]t…
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) | 2.20 | 7.9 | -96.11 | 3 | 5 | 2 | 52 | 281.448 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.