In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 15th, 2010 | 13 | No |
Popular Name: (1-PHENYL-1H-1,2,3-TRIAZOL-4-YL)METHANOL (1-PHENYL-1H-1,2,3-TRIAZOL-4-YL)…
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CAS Number: 103755-58-4
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) | 0.73 | 1.59 | -7.32 | 3 | 4 | 0 | 57 | 177.207 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.73 | 1.63 | -35.71 | 4 | 4 | 1 | 52 | 178.215 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.