| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2015 | 22 | Yes |
Popular Name: 6-Amino-2-chloromethyl-5-cyano-4-phenyl-4 H -pyran-3-carboxylic acid ethyl ester 6-Amino-2-chloromethyl-5-cyano-4…
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CAS Number: 340808-52-8
| 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) | 3.66 | 6.04 | -9.26 | 1 | 5 | 0 | 83 | 318.76 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.66 | 6.05 | -10.53 | 1 | 5 | 0 | 83 | 318.76 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.