In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 5th, 2011 | 27 | No |
Popular Name: (2S)-2-[(4-amino-6-oxo-5H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)-2-phenyl-acetamide (2S)-2-[(4-amino-6-oxo-5H-pyrimi…
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) | 2.75 | 7.51 | -16.61 | 3 | 6 | 0 | 97 | 380.473 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.75 | 7.57 | -35.09 | 2 | 6 | -1 | 94 | 379.465 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.75 | 7.93 | -45.7 | 4 | 6 | 1 | 99 | 381.481 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.