In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2010 | 15 | Yes |
Popular Name: (R)-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-cyclopropyl-methanamine (R)-(5-tert-butyl-2-methyl-1,2,4…
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) | -0.26 | 4.34 | -45.6 | 3 | 4 | 1 | 58 | 209.317 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.26 | 4.02 | -6.4 | 2 | 4 | 0 | 57 | 208.309 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.