In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2005 | 22 | Yes |
Popular Name: 2-Amino-N-benzyl-3-(1H-indol-3-yl)-propionamide 2-Amino-N-benzyl-3-(1H-indol-3-y…
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CAS Number: 187085-81-0
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) | 1.64 | 5.44 | -45.17 | 5 | 4 | 1 | 73 | 294.378 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.64 | 5.15 | -7.97 | 4 | 4 | 0 | 71 | 293.37 | 5 | ↓ |
Note Type | Comments | Provided By |
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Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.