In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 18 | Yes |
Popular Name: (2R)-3-(5-amino-1H-1,2,4-triazol-3-yl)-2-methyl-2-phenyl-propanoic (2R)-3-(5-amino-1H-1,2,4-triazol…
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 | 7.32 | -64.47 | 3 | 6 | -1 | 108 | 245.262 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.95 | 7.39 | -54.04 | 4 | 6 | 0 | 109 | 246.27 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.