In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2010 | 18 | No |
Popular Name: 3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine 3-(5-methyl-4-propyl-1,2,4-triaz…
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) | 1.66 | 7.76 | -11.73 | 1 | 4 | 0 | 55 | 262.382 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.39 | 7.66 | -12.83 | 2 | 4 | 0 | 57 | 262.382 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.