In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 16 | Yes |
Popular Name: 2-chloro-6-(1H-tetrazol-5-ylmethylamino)benzonitrile 2-chloro-6-(1H-tetrazol-5-ylmeth…
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) | 0.95 | 2.55 | -40.06 | 1 | 6 | -1 | 89 | 233.642 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.95 | 2.55 | -11.77 | 2 | 6 | 0 | 90 | 234.65 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.