| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 15 | No |
Popular Name: Ethanethioic acid, S-[2-amino-3-(2-methylphenyl)propyl] ester (9CI) Ethanethioic acid, S-[2-amino-3-…
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CAS Number: 792876-79-0
| 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) | 2.16 | 5.43 | -45.17 | 3 | 2 | 1 | 37 | 224.349 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.16 | 5.12 | -5.56 | 2 | 2 | 0 | 35 | 223.341 | 5 | ↓ |
