In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2010 | 14 | Yes |
Popular Name: 2-(4H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(4H-1,2,4-triazol-3-yl)-4,5,6,…
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) | 0.64 | 2.62 | -72.03 | 2 | 5 | 0 | 69 | 207.262 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.64 | 1.25 | -43.32 | 1 | 5 | -1 | 65 | 206.254 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.64 | 2.78 | -54.15 | 3 | 5 | 1 | 71 | 208.27 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.64 | 2.76 | -51.82 | 3 | 5 | 1 | 71 | 208.27 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.