In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2012 | 12 | No |
Popular Name: 1-CARBOXY-4-IODO-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE,95 1-CARBOXY-4-IODO-2,3-DIHYDROXYCY…
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CAS Number: 205503-96-4
(2R,3R)-1-CARBOXY-4-IODO-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE
(2R,3R)-1-CARBOXY-4-IODO-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE, 95
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) | -0.15 | 2.04 | -135.06 | 1 | 4 | -2 | 83 | 280.017 | 1 | ↓ |
Hi High (pH 8-9.5) | -0.15 | 2.06 | -113 | 1 | 4 | -2 | 83 | 280.017 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.