In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2011 | 13 | Yes |
Popular Name: [1-(1-methyltetrazol-5-yl)-1,2,4-triazol-3-yl]methanamine [1-(1-methyltetrazol-5-yl)-1,2,4…
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) | -1.85 | 2.88 | -51.49 | 3 | 8 | 1 | 102 | 181.183 | 2 | ↓ |
Hi High (pH 8-9.5) | -1.85 | 2.49 | -7.3 | 2 | 8 | 0 | 100 | 180.175 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.