In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2010 | 16 | Yes |
Popular Name: (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-isobutyl-2-methyl-propan-1-amine (2R)-3-(3,5-dimethyl-1,2,4-triaz…
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) | 0.94 | 6.72 | -47.75 | 2 | 4 | 1 | 47 | 225.36 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.94 | 7.15 | -90.12 | 3 | 4 | 2 | 49 | 226.368 | 6 | ↓ |