In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2010 | 21 | Yes |
Popular Name: N-butyl-N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]cyclopropanamine N-butyl-N-[2-[4-[(tert-butylamin…
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) | 2.67 | 8.41 | -90 | 3 | 5 | 2 | 52 | 295.475 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.67 | 7.19 | -42.77 | 2 | 5 | 1 | 47 | 294.467 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.