| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 17 | Yes |
Popular Name: TRANS-2-(3-METHYLBENZOYL)CYCLOPENTANE-1-CARBOXYLICACID TRANS-2-(3-METHYLBENZOYL)CYCLOPE…
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CAS Number: 733740-80-2
| 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) | 2.78 | 9.07 | -54.56 | 0 | 3 | -1 | 57 | 231.271 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.78 | 6.78 | -13.4 | 1 | 3 | 0 | 54 | 232.279 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.