| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 15 | Yes |
b-alanine, N-[(2-chlorophenyl)methyl]-, methyl ester
Methyl 3-[(2-chlorobenzyl)amino]propanoate
| 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) | 1.95 | 6.47 | -42.42 | 2 | 3 | 1 | 43 | 228.699 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.95 | 5.01 | -6.79 | 1 | 3 | 0 | 38 | 227.691 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
