| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2014 | 17 | Yes |
Popular Name: L-alanine-5-bromo-4-chloro-3-indoxyl ester, trifluoroacetate salt L-alanine-5-bromo-4-chloro-3-ind…
Find On: PubMed — Wikipedia — Google
CAS Number: 207725-18-6
| 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) | 2.30 | 3.86 | -32.61 | 3 | 4 | 1 | 66 | 318.578 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.30 | 4.19 | -95.64 | 4 | 4 | 2 | 68 | 319.586 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.