| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 28 | No |
Popular Name: dimethyl 2-(5-{[4-(tert-butyl)benzoyl]amino}-2-pyridinyl)malonate dimethyl 2-(5-{[4-(tert-butyl)be…
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CAS Number: 861209-83-8
| 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) | 1.95 | 3.13 | -13.93 | 1 | 7 | 0 | 94 | 384.432 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.95 | 3.21 | -44.79 | 2 | 7 | 1 | 95 | 385.44 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 132 - 134 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.
