In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2005 | 18 | Yes |
Popular Name: cis,cis-1,3,5-Trimethyl-1,3,5-cyclohexanetricarboxylic acid cis,cis-1,3,5-Trimethyl-1,3,5-cy…
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CAS Number: 79410-20-1
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) | 0.57 | 7.45 | -184.21 | 0 | 6 | -3 | 120 | 255.246 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.57 | 5.52 | -112.02 | 1 | 6 | -2 | 118 | 256.254 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.57 | 5.5 | -102.26 | 1 | 6 | -2 | 118 | 256.254 | 3 | ↓ |