In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 17 | Yes |
Popular Name: (2S)-3,3-dimethyl-2-[(4-methylsulfanylphenyl)methyl]butanoic (2S)-3,3-dimethyl-2-[(4-methylsu…
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) | 3.87 | 9.57 | -45.39 | 0 | 2 | -1 | 40 | 251.371 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.87 | 7.69 | -6.09 | 1 | 2 | 0 | 37 | 252.379 | 5 | ↓ |