In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2005 | 25 | Yes |
Popular Name: N-[5-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino-2-methyl-phenyl]propanamide N-[5-[2-(4,6-diaminopyrimidin-2-…
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) | 2.16 | -6.36 | -17.79 | 6 | 8 | 0 | 136 | 360.443 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.16 | -6.13 | -41.26 | 7 | 8 | 1 | 137 | 361.451 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.16 | -5.97 | -106.79 | 8 | 8 | 2 | 138 | 362.459 | 6 | ↓ |