| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 6th, 2006 | 21 | Yes |
Popular Name: MFCD06799751 MFCD06799751
Find On: PubMed — Wikipedia — Google
CAS Number: 1396998-94-9
2-(2-Amino-3-phenyl-propionylamino)-4-methyl-pentanoic acid methyl ester hydrochloride
AMINOPHENYLPROPIONYLAMINOMETHYLPENTANOICACIDMETHYLESTERHYDROCHLORID
| 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) | 1.59 | 5.24 | -43.35 | 4 | 5 | 1 | 83 | 293.387 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.59 | 5.4 | -9.73 | 3 | 5 | 0 | 81 | 292.379 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
