In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 2010 | 22 | Yes |
Popular Name: 2-[3,5-dihydroxy-2-[2-[(2S,6S)-6-methyltetrahydropyran-2-yl]acetyl]phenyl]acetic 2-[3,5-dihydroxy-2-[2-[(2S,6S)-6…
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) | 1.76 | 4.13 | -62.4 | 2 | 6 | -1 | 107 | 307.322 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.76 | 4.91 | -120.6 | 1 | 6 | -2 | 110 | 306.314 | 5 | ↓ |