| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 17 | Yes |
Popular Name: 2-Amino-3-(4-methoxy-1H-indol-3-yl)propanoic acid 2-Amino-3-(4-methoxy-1H-indol-3-…
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CAS Numbers: 1094396-87-8 , 199540-73-3 , 406938-53-2 , [406938-53-2]
(R)-2-Amino-3-(4-methoxy-1H-indol-3-yl)propanoicacid
(S)-2-Amino-3-(4-methoxy-1H-indol-3-yl)propanoic acid
(S)-2-Amino-3-(4-methoxy-1H-indol-3-yl)propanoicacid
| 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) | -1.07 | 3.89 | -30.73 | 4 | 5 | 0 | 93 | 234.255 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.07 | 3.61 | -48.76 | 3 | 5 | -1 | 91 | 233.247 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.