In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2011 | 16 | Yes |
Popular Name: N-(4H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide N-(4H-1,2,4-triazol-3-yl)-5,6-di…
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) | 1.16 | 7.21 | -14.8 | 2 | 5 | 0 | 71 | 234.284 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.16 | 7.03 | -47.41 | 1 | 5 | -1 | 69 | 233.276 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.