In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 19th, 2009 | 16 | Yes |
Popular Name: 4-propyl-N-(4H-1,2,4-triazol-3-ylmethyl)cyclohexanamine 4-propyl-N-(4H-1,2,4-triazol-3-y…
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) | 1.98 | 6.75 | -36.94 | 3 | 4 | 1 | 58 | 223.344 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.98 | 6.6 | -31.56 | 2 | 4 | 0 | 56 | 222.336 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.