In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2005 | 16 | Yes |
Popular Name: 5-(1-adamantyl)-4H-1,2,4-triazol-3-amine 5-(1-adamantyl)-4H-1,2,4-triazol…
Find On: PubMed — Wikipedia — Google
CAS Number: 473994-26-2
5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazol-3-amine
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) | 2.21 | 6.62 | -5.89 | 3 | 4 | 0 | 68 | 218.304 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.21 | 7.11 | -30.96 | 4 | 4 | 1 | 69 | 219.312 | 1 | ↓ |