In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | No |
Popular Name: (2S)-3-[(6-ethylpyrimidin-4-yl)-methyl-amino]-2-methyl-propanethioamide (2S)-3-[(6-ethylpyrimidin-4-yl)-…
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) | 0.91 | 6.06 | -10.58 | 2 | 4 | 0 | 55 | 238.36 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.91 | 6.44 | -34.81 | 3 | 4 | 1 | 56 | 239.368 | 5 | ↓ |